2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid

C18H18O4 — CID 82228571

IUPAC2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2CC2C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C18H18O4/c1-21-17-9-13(14-10-15(14)18(19)20)7-8-16(17)22-11-12-5-3-2-4-6-12/h2-9,14-15H,10-11H2,1H3,(H,19,20)
InChIKeyJEQHBZOVIBFQBY-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.46
Rot. Bonds6

About 2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid

2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 82228571) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID82228571
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2CC2C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C18H18O4/c1-21-17-9-13(14-10-15(14)18(19)20)7-8-16(17)22-11-12-5-3-2-4-6-12/h2-9,14-15H,10-11H2,1H3,(H,19,20)
InChIKeyJEQHBZOVIBFQBY-UHFFFAOYSA-N
XLogP3.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
3-(3,3-dimethylbutanoyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729292
(3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one
CID 177415450
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 25486073
2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 53275991
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
(3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one
CID 102187851
2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-phenylmethoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729302
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47063290
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
3-methoxy-4-phenylmethoxyaniline
CID 27226

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid (CID 82228571) is 2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid is COc1cc(C2CC2C(=O)O)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is JEQHBZOVIBFQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-21-17-9-13(14-10-15(14)18(19)20)7-8-16(17)22-11-12-5-3-2-4-6-12/h2-9,14-15H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid?
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82228571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).