1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid

C16H20O3 — CID 117405083

IUPAC1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CCCC2)ccc1C1CC1
InChIInChI=1S/C16H20O3/c1-19-14-10-12(6-7-13(14)11-4-5-11)16(15(17)18)8-2-3-9-16/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyZGJRDWCCTAIQBQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.47
Rot. Bonds4

About 1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid

1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117405083) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID117405083
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CCCC2)ccc1C1CC1
InChIInChI=1S/C16H20O3/c1-19-14-10-12(6-7-13(14)11-4-5-11)16(15(17)18)8-2-3-9-16/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyZGJRDWCCTAIQBQ-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.47
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-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
1-(4-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410191
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493404
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493405
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
1-(3-methoxy-4-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117457835
1-[3-[(dimethylamino)methyl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117412824
1-(4-methoxy-3-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117384290
ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 143872791

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid (CID 117405083) is 1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid is COc1cc(C2(C(=O)O)CCCC2)ccc1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is ZGJRDWCCTAIQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-19-14-10-12(6-7-13(14)11-4-5-11)16(15(17)18)8-2-3-9-16/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of 1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid?
1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 260.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117405083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).