ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid

C14H20O4 — CID 143857791

IUPACethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCC.COc1cccc(C2(O)CC(C(=O)O)C2)c1
InChIInChI=1S/C12H14O4.C2H6/c1-16-10-4-2-3-9(5-10)12(15)6-8(7-12)11(13)14;1-2/h2-5,8,15H,6-7H2,1H3,(H,13,14);1-2H3
InChIKeyKXJUQEWBNNTYLG-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.40
Rot. Bonds3

About ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid

ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 143857791) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID143857791
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Nameethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCC.COc1cccc(C2(O)CC(C(=O)O)C2)c1
InChIInChI=1S/C12H14O4.C2H6/c1-16-10-4-2-3-9(5-10)12(15)6-8(7-12)11(13)14;1-2/h2-5,8,15H,6-7H2,1H3,(H,13,14);1-2H3
InChIKeyKXJUQEWBNNTYLG-UHFFFAOYSA-N
XLogP2.40
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171958423
tert-butyl 3-hydroxy-3-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171958418
ethyl 3-hydroxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
CID 118951537
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65016675
(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 119174323
1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353654
4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid
CID 106497082
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
4-(3-methoxyphenyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63939230
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1446395

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid (CID 143857791) is ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid is CC.COc1cccc(C2(O)CC(C(=O)O)C2)c1.
What is the InChIKey of ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is KXJUQEWBNNTYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4.C2H6/c1-16-10-4-2-3-9(5-10)12(15)6-8(7-12)11(13)14;1-2/h2-5,8,15H,6-7H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid?
ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 143857791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).