2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid

C12H14O4 — CID 83838639

IUPAC2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)C2CC2)cc1O
InChIInChI=1S/C12H14O4/c1-16-10-5-4-8(6-9(10)13)11(12(14)15)7-2-3-7/h4-7,11,13H,2-3H2,1H3,(H,14,15)
InChIKeyCVAFRCYDDSLWBP-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.98
Rot. Bonds4

About 2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid

2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid (PubChem CID 83838639) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid
PubChem CID83838639
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)C2CC2)cc1O
InChIInChI=1S/C12H14O4/c1-16-10-5-4-8(6-9(10)13)11(12(14)15)7-2-3-7/h4-7,11,13H,2-3H2,1H3,(H,14,15)
InChIKeyCVAFRCYDDSLWBP-UHFFFAOYSA-N
XLogP1.98
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol
CID 171160742
2-(cyclopropylmethylamino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 54894829
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830
(3S)-3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 94425310
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
2-(2-bromo-4,5-dimethoxyphenyl)-2-cyclopropylacetic acid
CID 175668604
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
3-hydroxy-4-methoxybenzoic acid
CID 12575
5-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-2-methoxyphenol;hydrochloride
CID 171160739

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid (CID 83838639) is 2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid is COc1ccc(C(C(=O)O)C2CC2)cc1O.
What is the InChIKey of 2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The InChIKey is CVAFRCYDDSLWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-16-10-5-4-8(6-9(10)13)11(12(14)15)7-2-3-7/h4-7,11,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid has a molecular weight of 222.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 83838639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).