2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid

C30H30O3 — CID 46244432

IUPAC2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid
SMILESCOc1ccc(-c2ccc(CCC(CCCc3cccc4ccccc34)C(=O)O)cc2)cc1
InChIInChI=1S/C30H30O3/c1-33-28-20-18-24(19-21-28)23-15-12-22(13-16-23)14-17-27(30(31)32)10-5-9-26-8-4-7-25-6-2-3-11-29(25)26/h2-4,6-8,11-13,15-16,18-21,27H,5,9-10,14,17H2,1H3,(H,31,32)
InChIKeyFSZLEQSPTGVSDX-UHFFFAOYSA-N
MW438.57 g/mol
LogP7.17
Rot. Bonds10

About 2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid

2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid (PubChem CID 46244432) has the molecular formula C30H30O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid.

Molecular Properties

Compound Name2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid
PubChem CID46244432
Molecular FormulaC30H30O3
Molecular Weight438.57 g/mol
Exact Mass438.22
IUPAC Name2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid
SMILESCOc1ccc(-c2ccc(CCC(CCCc3cccc4ccccc34)C(=O)O)cc2)cc1
InChIInChI=1S/C30H30O3/c1-33-28-20-18-24(19-21-28)23-15-12-22(13-16-23)14-17-27(30(31)32)10-5-9-26-8-4-7-25-6-2-3-11-29(25)26/h2-4,6-8,11-13,15-16,18-21,27H,5,9-10,14,17H2,1H3,(H,31,32)
InChIKeyFSZLEQSPTGVSDX-UHFFFAOYSA-N
XLogP7.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
CID 14600094
2-[3-(4-methoxyphenyl)propyl]butanedioic acid
CID 54505508
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458
5-(4-methoxyphenyl)-2-phenylpentanoic acid
CID 81008725
2-[2-[4-(3-cyano-4-methoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid
CID 46244326
2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 23157957
2-[2-[4-(3-cyanophenyl)phenyl]ethyl]-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 46244427
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793492
ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate
CID 67187832
4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
CID 104845102

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid?
The IUPAC name of 2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid (CID 46244432) is 2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid.
What is the SMILES notation for 2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid?
The canonical SMILES for 2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid is COc1ccc(-c2ccc(CCC(CCCc3cccc4ccccc34)C(=O)O)cc2)cc1.
What is the InChIKey of 2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid?
The InChIKey is FSZLEQSPTGVSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O3/c1-33-28-20-18-24(19-21-28)23-15-12-22(13-16-23)14-17-27(30(31)32)10-5-9-26-8-4-7-25-6-2-3-11-29(25)26/h2-4,6-8,11-13,15-16,18-21,27H,5,9-10,14,17H2,1H3,(H,31,32).
What are the key properties of 2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid?
2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid has a molecular weight of 438.57 g/mol, XLogP of 7.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid is sourced from PubChem (CID 46244432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).