2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid

C17H24O4 — CID 114392545

IUPAC2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(O)c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C17H24O4/c1-10(2)21-13-6-4-12(5-7-13)16(18)14-8-11(3)9-15(14)17(19)20/h4-7,10-11,14-16,18H,8-9H2,1-3H3,(H,19,20)
InChIKeyHUZUFBAPDYHZBM-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.25
Rot. Bonds5

About 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid

2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114392545) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114392545
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(O)c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C17H24O4/c1-10(2)21-13-6-4-12(5-7-13)16(18)14-8-11(3)9-15(14)17(19)20/h4-7,10-11,14-16,18H,8-9H2,1-3H3,(H,19,20)
InChIKeyHUZUFBAPDYHZBM-UHFFFAOYSA-N
XLogP3.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392547
4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 114512775
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
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
2-[(3-bromothiophen-2-yl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392585
cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132224
1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 65056333
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid (CID 114392545) is 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(O)c2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is HUZUFBAPDYHZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-10(2)21-13-6-4-12(5-7-13)16(18)14-8-11(3)9-15(14)17(19)20/h4-7,10-11,14-16,18H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid?
2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114392545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).