4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid

C16H22O4 — CID 114512775

IUPAC4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(O)c2ccc(OC)cc2)C1
InChIInChI=1S/C16H22O4/c1-3-10-8-13(14(9-10)16(18)19)15(17)11-4-6-12(20-2)7-5-11/h4-7,10,13-15,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyKUDMJZGMOYXXNM-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.87
Rot. Bonds5

About 4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 114512775) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID114512775
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(O)c2ccc(OC)cc2)C1
InChIInChI=1S/C16H22O4/c1-3-10-8-13(14(9-10)16(18)19)15(17)11-4-6-12(20-2)7-5-11/h4-7,10,13-15,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyKUDMJZGMOYXXNM-UHFFFAOYSA-N
XLogP2.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-difluorophenyl)-hydroxymethyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114512766
4-ethyl-2-[hydroxy-(2,4,6-trifluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 114512778
(3-ethylcyclopentyl)-(4-methoxyphenyl)methanol
CID 65409565
2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392545
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359
cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 130979849
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
(4-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181512
2-[(4-bromo-2,5-difluorophenyl)-hydroxymethyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114512828
4-ethyl-2-(4-methoxyphenyl)sulfanylcyclohexane-1-carboxylic acid
CID 63099271
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392547

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid (CID 114512775) is 4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(O)c2ccc(OC)cc2)C1.
What is the InChIKey of 4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is KUDMJZGMOYXXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-3-10-8-13(14(9-10)16(18)19)15(17)11-4-6-12(20-2)7-5-11/h4-7,10,13-15,17H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114512775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).