2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid

C14H17ClO5 — CID 117484437

IUPAC2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(Cl)cc(C(O)C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C14H17ClO5/c1-19-13-10(15)6-8(12(16)14(17)18)7-11(13)20-9-4-2-3-5-9/h6-7,9,12,16H,2-5H2,1H3,(H,17,18)
InChIKeyHRMHGJPTJQMTOV-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.79
Rot. Bonds5

About 2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid

2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117484437) has the molecular formula C14H17ClO5 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID117484437
Molecular FormulaC14H17ClO5
Molecular Weight300.74 g/mol
Exact Mass300.08
IUPAC Name2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(Cl)cc(C(O)C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C14H17ClO5/c1-19-13-10(15)6-8(12(16)14(17)18)7-11(13)20-9-4-2-3-5-9/h6-7,9,12,16H,2-5H2,1H3,(H,17,18)
InChIKeyHRMHGJPTJQMTOV-UHFFFAOYSA-N
XLogP2.79
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298
(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)methanamine
CID 117392726
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458643
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
CID 117425393
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
CID 117481061
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 77129521
(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349
2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid
CID 117458340

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid (CID 117484437) is 2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid is COc1c(Cl)cc(C(O)C(=O)O)cc1OC1CCCC1.
What is the InChIKey of 2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is HRMHGJPTJQMTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO5/c1-19-13-10(15)6-8(12(16)14(17)18)7-11(13)20-9-4-2-3-5-9/h6-7,9,12,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid?
2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 300.74 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117484437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).