1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid

C16H22O3 — CID 117410626

IUPAC1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CCCC2)ccc1C(C)C
InChIInChI=1S/C16H22O3/c1-11(2)13-7-6-12(10-14(13)19-3)16(15(17)18)8-4-5-9-16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyNNBURFGSAFQHRC-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.71
Rot. Bonds4

About 1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid

1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117410626) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117410626
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CCCC2)ccc1C(C)C
InChIInChI=1S/C16H22O3/c1-11(2)13-7-6-12(10-14(13)19-3)16(15(17)18)8-4-5-9-16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyNNBURFGSAFQHRC-UHFFFAOYSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117405083
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117469278
1-(4-methoxy-3-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117384290
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117474947
1-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]cyclopentane-1-carboxylic acid
CID 117477567
1-(3-methoxy-4-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117457835
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
1-(4-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410191

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid (CID 117410626) is 1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid is COc1cc(C2(C(=O)O)CCCC2)ccc1C(C)C.
What is the InChIKey of 1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is NNBURFGSAFQHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)13-7-6-12(10-14(13)19-3)16(15(17)18)8-4-5-9-16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid?
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117410626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).