1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid

C15H18O5 — CID 118579996

IUPAC1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(=O)CC2(C(=O)O)CCCC2)cc1O
InChIInChI=1S/C15H18O5/c1-20-13-5-4-10(8-11(13)16)12(17)9-15(14(18)19)6-2-3-7-15/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyRBNDLWGDMGSZJU-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.62
Rot. Bonds5

About 1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 118579996) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID118579996
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(=O)CC2(C(=O)O)CCCC2)cc1O
InChIInChI=1S/C15H18O5/c1-20-13-5-4-10(8-11(13)16)12(17)9-15(14(18)19)6-2-3-7-15/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyRBNDLWGDMGSZJU-UHFFFAOYSA-N
XLogP2.62
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 56816635
2-chloro-1-(3-hydroxy-4-methoxyphenyl)ethanone
CID 15110269
3-hydroxy-4-methoxybenzoic acid
CID 12575
1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 58304082
2-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004384
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396507
N-[1-(chloromethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114303315
N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114314007
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
1-[2-[4-(2-hydroxyethoxy)-3-(2-phenylethoxy)phenyl]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 149300346
2-[2-[3-(benzenesulfonyloxy)-4-methoxyphenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 58318358
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 118579996) is 1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid is COc1ccc(C(=O)CC2(C(=O)O)CCCC2)cc1O.
What is the InChIKey of 1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is RBNDLWGDMGSZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-20-13-5-4-10(8-11(13)16)12(17)9-15(14(18)19)6-2-3-7-15/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 278.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 118579996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).