4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate

C106H108Cl5FN8O15 — CID 158180743

IUPAC4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate
SMILESCOC(=O)/C(=C/c1ccc(Cl)cc1Oc1ccc(C2CCCCC2)cc1)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(Oc3ccc(C4CCCCC4)cc3)cc(Cl)cc2[nH]1.O=C(O)c1cc2c(Oc3ccc(C4CCCCC4)cc3)cc(Cl)cc2[nH]1.O=Cc1ccc(Cl)cc1F.O=Cc1ccc(Cl)cc1Oc1ccc(C2CCCCC2)cc1.Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H22ClN3O3.C22H22ClNO3.C21H20ClNO3.C19H19ClO2.C12H16O.C7H4ClFO.C3H5N3O2/c1-28-22(27)20(25-26-24)13-17-7-10-18(23)14-21(17)29-19-11-8-16(9-12-19)15-5-3-2-4-6-15;1-26-22(25)20-13-18-19(24-20)11-16(23)12-21(18)27-17-9-7-15(8-10-17)14-5-3-2-4-6-14;22-15-10-18-17(12-19(23-18)21(24)25)20(11-15)26-16-8-6-14(7-9-16)13-4-2-1-3-5-13;20-17-9-6-16(13-21)19(12-17)22-18-10-7-15(8-11-18)14-4-2-1-3-5-14;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;8-6-2-1-5(4-10)7(9)3-6;1-8-3(7)2-5-6-4/h7-15H,2-6H2,1H3;7-14,24H,2-6H2,1H3;6-13,23H,1-5H2,(H,24,25);6-14H,1-5H2;6-10,13H,1-5H2;1-4H;2H2,1H3/b20-13-;;;;;;
InChIKeyFYODAIZNZPGWRO-WSDNSDATSA-N
MW1930.33 g/mol
LogP32.01
Rot. Bonds22

About 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate

4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate (PubChem CID 158180743) has the molecular formula C106H108Cl5FN8O15 and a molecular weight of 1930.33 g/mol. Its IUPAC name is 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Name4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate
PubChem CID158180743
Molecular FormulaC106H108Cl5FN8O15
Molecular Weight1930.33 g/mol
Exact Mass1926.64
IUPAC Name4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate
SMILESCOC(=O)/C(=C/c1ccc(Cl)cc1Oc1ccc(C2CCCCC2)cc1)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(Oc3ccc(C4CCCCC4)cc3)cc(Cl)cc2[nH]1.O=C(O)c1cc2c(Oc3ccc(C4CCCCC4)cc3)cc(Cl)cc2[nH]1.O=Cc1ccc(Cl)cc1F.O=Cc1ccc(Cl)cc1Oc1ccc(C2CCCCC2)cc1.Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H22ClN3O3.C22H22ClNO3.C21H20ClNO3.C19H19ClO2.C12H16O.C7H4ClFO.C3H5N3O2/c1-28-22(27)20(25-26-24)13-17-7-10-18(23)14-21(17)29-19-11-8-16(9-12-19)15-5-3-2-4-6-15;1-26-22(25)20-13-18-19(24-20)11-16(23)12-21(18)27-17-9-7-15(8-10-17)14-5-3-2-4-6-14;22-15-10-18-17(12-19(23-18)21(24)25)20(11-15)26-16-8-6-14(7-9-16)13-4-2-1-3-5-13;20-17-9-6-16(13-21)19(12-17)22-18-10-7-15(8-11-18)14-4-2-1-3-5-14;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;8-6-2-1-5(4-10)7(9)3-6;1-8-3(7)2-5-6-4/h7-15H,2-6H2,1H3;7-14,24H,2-6H2,1H3;6-13,23H,1-5H2,(H,24,25);6-14H,1-5H2;6-10,13H,1-5H2;1-4H;2H2,1H3/b20-13-;;;;;;
InChIKeyFYODAIZNZPGWRO-WSDNSDATSA-N
XLogP32.01
TPSA336.59 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001930.33
LogP ≤ 532.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate?
The IUPAC name of 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate (CID 158180743) is 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate?
The canonical SMILES for 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate is COC(=O)/C(=C/c1ccc(Cl)cc1Oc1ccc(C2CCCCC2)cc1)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(Oc3ccc(C4CCCCC4)cc3)cc(Cl)cc2[nH]1.O=C(O)c1cc2c(Oc3ccc(C4CCCCC4)cc3)cc(Cl)cc2[nH]1.O=Cc1ccc(Cl)cc1F.O=Cc1ccc(Cl)cc1Oc1ccc(C2CCCCC2)cc1.Oc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate?
The InChIKey is FYODAIZNZPGWRO-WSDNSDATSA-N. The full InChI is InChI=1S/C22H22ClN3O3.C22H22ClNO3.C21H20ClNO3.C19H19ClO2.C12H16O.C7H4ClFO.C3H5N3O2/c1-28-22(27)20(25-26-24)13-17-7-10-18(23)14-21(17)29-19-11-8-16(9-12-19)15-5-3-2-4-6-15;1-26-22(25)20-13-18-19(24-20)11-16(23)12-21(18)27-17-9-7-15(8-10-17)14-5-3-2-4-6-14;22-15-10-18-17(12-19(23-18)21(24)25)20(11-15)26-16-8-6-14(7-9-16)13-4-2-1-3-5-13;20-17-9-6-16(13-21)19(12-17)22-18-10-7-15(8-11-18)14-4-2-1-3-5-14;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;8-6-2-1-5(4-10)7(9)3-6;1-8-3(7)2-5-6-4/h7-15H,2-6H2,1H3;7-14,24H,2-6H2,1H3;6-13,23H,1-5H2,(H,24,25);6-14H,1-5H2;6-10,13H,1-5H2;1-4H;2H2,1H3/b20-13-;;;;;;.
What are the key properties of 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate?
4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate has a molecular weight of 1930.33 g/mol, XLogP of 32.01, 22 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 158180743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).