methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate

C30H30FNO5 — CID 11540636

IUPACmethyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate
SMILESCCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2c(ccn2CC(=O)OC)c1
InChIInChI=1S/C30H30FNO5/c1-3-5-23-18-24(30(34)21-6-9-25(31)10-7-21)8-13-28(23)37-17-4-16-36-26-11-12-27-22(19-26)14-15-32(27)20-29(33)35-2/h6-15,18-19H,3-5,16-17,20H2,1-2H3
InChIKeyRVFLSPSOHHBPCW-UHFFFAOYSA-N
MW503.57 g/mol
LogP5.98
Rot. Bonds12

About methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate

methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate (PubChem CID 11540636) has the molecular formula C30H30FNO5 and a molecular weight of 503.57 g/mol. Its IUPAC name is methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate
PubChem CID11540636
Molecular FormulaC30H30FNO5
Molecular Weight503.57 g/mol
Exact Mass503.21
IUPAC Namemethyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate
SMILESCCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2c(ccn2CC(=O)OC)c1
InChIInChI=1S/C30H30FNO5/c1-3-5-23-18-24(30(34)21-6-9-25(31)10-7-21)8-13-28(23)37-17-4-16-36-26-11-12-27-22(19-26)14-15-32(27)20-29(33)35-2/h6-15,18-19H,3-5,16-17,20H2,1-2H3
InChIKeyRVFLSPSOHHBPCW-UHFFFAOYSA-N
XLogP5.98
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.57
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetate
CID 11569480
methyl 2-[5-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetate
CID 11519200
methyl 2-[5-[3-methyl-5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetate
CID 11642279
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
2-ethoxy-2-[5-[3-[4-(4-phenylbenzoyl)-2-propylphenoxy]propoxy]indazol-1-yl]acetic acid
CID 166044916
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
methyl 2-(5-hydroxyindol-1-yl)acetate
CID 20770839
[5-[3-[4-(4-ethyl-1,3-thiazol-2-yl)-2-propylphenoxy]propoxy]indol-1-yl] propanoate
CID 91496575
(4-ethyl-3-propylphenyl)-(4-fluorophenyl)methanone
CID 143060614
methyl 2-[3-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butoxy]phenyl]acetate
CID 22458910
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
2-[1-[3-(4-benzoyl-2-propylphenoxy)propyl]indol-4-yl]oxy-2-methylpropanoic acid
CID 42625956

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate?
The IUPAC name of methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate (CID 11540636) is methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate is CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2c(ccn2CC(=O)OC)c1.
What is the InChIKey of methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate?
The InChIKey is RVFLSPSOHHBPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FNO5/c1-3-5-23-18-24(30(34)21-6-9-25(31)10-7-21)8-13-28(23)37-17-4-16-36-26-11-12-27-22(19-26)14-15-32(27)20-29(33)35-2/h6-15,18-19H,3-5,16-17,20H2,1-2H3.
What are the key properties of methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate?
methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate has a molecular weight of 503.57 g/mol, XLogP of 5.98, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetate is sourced from PubChem (CID 11540636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).