2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate

C73H55Cl5FN5O12 — CID 159874549

IUPAC2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
SMILESCOC(=O)/C(=C\c1ccccc1Oc1ccccc1Cl)N=[N+]=[N-].COC(=O)c1cc2c(Oc3ccccc3Cl)cccc2[nH]1.O=Cc1ccccc1F.O=Cc1ccccc1Oc1ccccc1Cl.OCc1cc2c(Oc3ccccc3Cl)cccc2[nH]1.Oc1ccccc1Cl
InChIInChI=1S/C16H12ClN3O3.C16H12ClNO3.C15H12ClNO2.C13H9ClO2.C7H5FO.C6H5ClO/c1-22-16(21)13(19-20-18)10-11-6-2-4-8-14(11)23-15-9-5-3-7-12(15)17;1-20-16(19)13-9-10-12(18-13)6-4-8-14(10)21-15-7-3-2-5-11(15)17;16-12-4-1-2-6-15(12)19-14-7-3-5-13-11(14)8-10(9-18)17-13;14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15;8-7-4-2-1-3-6(7)5-9;7-5-3-1-2-4-6(5)8/h2-10H,1H3;2-9,18H,1H3;1-8,17-18H,9H2;1-9H;1-5H;1-4,8H/b13-10+;;;;;
InChIKeyNSSVOAAEYUMNRI-SWUBSKDPSA-N
MW1390.53 g/mol
LogP21.09
Rot. Bonds15

About 2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate

2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate (PubChem CID 159874549) has the molecular formula C73H55Cl5FN5O12 and a molecular weight of 1390.53 g/mol. Its IUPAC name is 2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
PubChem CID159874549
Molecular FormulaC73H55Cl5FN5O12
Molecular Weight1390.53 g/mol
Exact Mass1387.23
IUPAC Name2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
SMILESCOC(=O)/C(=C\c1ccccc1Oc1ccccc1Cl)N=[N+]=[N-].COC(=O)c1cc2c(Oc3ccccc3Cl)cccc2[nH]1.O=Cc1ccccc1F.O=Cc1ccccc1Oc1ccccc1Cl.OCc1cc2c(Oc3ccccc3Cl)cccc2[nH]1.Oc1ccccc1Cl
InChIInChI=1S/C16H12ClN3O3.C16H12ClNO3.C15H12ClNO2.C13H9ClO2.C7H5FO.C6H5ClO/c1-22-16(21)13(19-20-18)10-11-6-2-4-8-14(11)23-15-9-5-3-7-12(15)17;1-20-16(19)13-9-10-12(18-13)6-4-8-14(10)21-15-7-3-2-5-11(15)17;16-12-4-1-2-6-15(12)19-14-7-3-5-13-11(14)8-10(9-18)17-13;14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15;8-7-4-2-1-3-6(7)5-9;7-5-3-1-2-4-6(5)8/h2-10H,1H3;2-9,18H,1H3;1-8,17-18H,9H2;1-9H;1-5H;1-4,8H/b13-10+;;;;;
InChIKeyNSSVOAAEYUMNRI-SWUBSKDPSA-N
XLogP21.09
TPSA244.46 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.53
LogP ≤ 521.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate?
The IUPAC name of 2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate (CID 159874549) is 2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for 2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate?
The canonical SMILES for 2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate is COC(=O)/C(=C\c1ccccc1Oc1ccccc1Cl)N=[N+]=[N-].COC(=O)c1cc2c(Oc3ccccc3Cl)cccc2[nH]1.O=Cc1ccccc1F.O=Cc1ccccc1Oc1ccccc1Cl.OCc1cc2c(Oc3ccccc3Cl)cccc2[nH]1.Oc1ccccc1Cl.
What is the InChIKey of 2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate?
The InChIKey is NSSVOAAEYUMNRI-SWUBSKDPSA-N. The full InChI is InChI=1S/C16H12ClN3O3.C16H12ClNO3.C15H12ClNO2.C13H9ClO2.C7H5FO.C6H5ClO/c1-22-16(21)13(19-20-18)10-11-6-2-4-8-14(11)23-15-9-5-3-7-12(15)17;1-20-16(19)13-9-10-12(18-13)6-4-8-14(10)21-15-7-3-2-5-11(15)17;16-12-4-1-2-6-15(12)19-14-7-3-5-13-11(14)8-10(9-18)17-13;14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15;8-7-4-2-1-3-6(7)5-9;7-5-3-1-2-4-6(5)8/h2-10H,1H3;2-9,18H,1H3;1-8,17-18H,9H2;1-9H;1-5H;1-4,8H/b13-10+;;;;;.
What are the key properties of 2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate?
2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate has a molecular weight of 1390.53 g/mol, XLogP of 21.09, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorophenol;2-(2-chlorophenoxy)benzaldehyde;[4-(2-chlorophenoxy)-1H-indol-2-yl]methanol;2-fluorobenzaldehyde;methyl (E)-2-azido-3-[2-(2-chlorophenoxy)phenyl]prop-2-enoate;methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 159874549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).