1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid

C17H16O3 — CID 83556280

IUPAC1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(-c2cccc(C3(C(=O)O)CC3)c2)cc1
InChIInChI=1S/C17H16O3/c1-20-15-7-5-12(6-8-15)13-3-2-4-14(11-13)17(9-10-17)16(18)19/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyGWIKLFJKYMZWGB-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.48
Rot. Bonds4

About 1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid

1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 83556280) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID83556280
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(-c2cccc(C3(C(=O)O)CC3)c2)cc1
InChIInChI=1S/C17H16O3/c1-20-15-7-5-12(6-8-15)13-3-2-4-14(11-13)17(9-10-17)16(18)19/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyGWIKLFJKYMZWGB-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid (CID 83556280) is 1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid is COc1ccc(-c2cccc(C3(C(=O)O)CC3)c2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is GWIKLFJKYMZWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-20-15-7-5-12(6-8-15)13-3-2-4-14(11-13)17(9-10-17)16(18)19/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83556280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).