2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid

C12H14O5 — CID 53275991

IUPAC2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2CC2C(=O)O)cc(OC)c1O
InChIInChI=1S/C12H14O5/c1-16-9-3-6(4-10(17-2)11(9)13)7-5-8(7)12(14)15/h3-4,7-8,13H,5H2,1-2H3,(H,14,15)
InChIKeyKYCQASUFFDQFAS-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.60
Rot. Bonds4

About 2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid

2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 53275991) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID53275991
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2CC2C(=O)O)cc(OC)c1O
InChIInChI=1S/C12H14O5/c1-16-9-3-6(4-10(17-2)11(9)13)7-5-8(7)12(14)15/h3-4,7-8,13H,5H2,1-2H3,(H,14,15)
InChIKeyKYCQASUFFDQFAS-UHFFFAOYSA-N
XLogP1.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299452
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
(4R,5R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one
CID 139193326
4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one
CID 72785168
trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299464
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5144254
2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82477382
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
trans-(1S,2S)-2-(3,4-difluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 99805849
trans-(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 95003995

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid (CID 53275991) is 2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid is COc1cc(C2CC2C(=O)O)cc(OC)c1O.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is KYCQASUFFDQFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-16-9-3-6(4-10(17-2)11(9)13)7-5-8(7)12(14)15/h3-4,7-8,13H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53275991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).