1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid

C16H21ClO3 — CID 117478165

IUPAC1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1c(Cl)cc(C(C)C)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C16H21ClO3/c1-10(2)11-8-12(14(20-3)13(17)9-11)16(15(18)19)6-4-5-7-16/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyRDZNKXXZNMJSQD-UHFFFAOYSA-N
MW296.79 g/mol
LogP4.37
Rot. Bonds4

About 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid

1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117478165) has the molecular formula C16H21ClO3 and a molecular weight of 296.79 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117478165
Molecular FormulaC16H21ClO3
Molecular Weight296.79 g/mol
Exact Mass296.12
IUPAC Name1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1c(Cl)cc(C(C)C)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C16H21ClO3/c1-10(2)11-8-12(14(20-3)13(17)9-11)16(15(18)19)6-4-5-7-16/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyRDZNKXXZNMJSQD-UHFFFAOYSA-N
XLogP4.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454417
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-ol
CID 117354237
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117446153
1-(5-chloro-2,3-dimethoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497845
1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclohexane-1-carboxylic acid
CID 117495347
1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid
CID 117497834
1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389834
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497851
1-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117437881
1-(4-chloro-2-hydroxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394988
1-(4-chloro-3-fluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117434480

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid (CID 117478165) is 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid is COc1c(Cl)cc(C(C)C)cc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is RDZNKXXZNMJSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO3/c1-10(2)11-8-12(14(20-3)13(17)9-11)16(15(18)19)6-4-5-7-16/h8-10H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 296.79 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117478165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).