1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid

C19H20O4 — CID 117497648

IUPAC1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(OCc3ccccc3)c2O)CCCC1
InChIInChI=1S/C19H20O4/c20-17-15(19(18(21)22)11-4-5-12-19)9-6-10-16(17)23-13-14-7-2-1-3-8-14/h1-3,6-10,20H,4-5,11-13H2,(H,21,22)
InChIKeyGKTCBBBEIOPYQB-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.87
Rot. Bonds5

About 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid

1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117497648) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID117497648
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(OCc3ccccc3)c2O)CCCC1
InChIInChI=1S/C19H20O4/c20-17-15(19(18(21)22)11-4-5-12-19)9-6-10-16(17)23-13-14-7-2-1-3-8-14/h1-3,6-10,20H,4-5,11-13H2,(H,21,22)
InChIKeyGKTCBBBEIOPYQB-UHFFFAOYSA-N
XLogP3.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117457732
2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol
CID 117496323
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
2-(1-isocyanatocyclobutyl)-6-phenylmethoxyphenol
CID 117476020
methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 146486756
1-[2-hydroxy-3-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117344777
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117405012
2-bromo-6-phenylmethoxyphenol
CID 67346586
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 82618262
1-(1-hydroxy-5-methoxynaphthalen-2-yl)cyclobutane-1-carboxylic acid
CID 117433459

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid (CID 117497648) is 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2cccc(OCc3ccccc3)c2O)CCCC1.
What is the InChIKey of 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is GKTCBBBEIOPYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c20-17-15(19(18(21)22)11-4-5-12-19)9-6-10-16(17)23-13-14-7-2-1-3-8-14/h1-3,6-10,20H,4-5,11-13H2,(H,21,22).
What are the key properties of 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid?
1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117497648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).