1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid

C15H18O4 — CID 117410085

IUPAC1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3c(cc2O)COC3)CCCCC1
InChIInChI=1S/C15H18O4/c16-13-7-11-9-19-8-10(11)6-12(13)15(14(17)18)4-2-1-3-5-15/h6-7,16H,1-5,8-9H2,(H,17,18)
InChIKeyFCKOUHRBCCEWMY-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.71
Rot. Bonds2

About 1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid

1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid (PubChem CID 117410085) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid
PubChem CID117410085
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3c(cc2O)COC3)CCCCC1
InChIInChI=1S/C15H18O4/c16-13-7-11-9-19-8-10(11)6-12(13)15(14(17)18)4-2-1-3-5-15/h6-7,16H,1-5,8-9H2,(H,17,18)
InChIKeyFCKOUHRBCCEWMY-UHFFFAOYSA-N
XLogP2.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-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

1-(6-hydroxy-1,3-benzodioxol-5-yl)cyclohexane-1-carboxylic acid
CID 117414750
1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclohexane-1-carboxylic acid
CID 117445875
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid
CID 117449718
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630
1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid
CID 117373233
6-[1-(aminomethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-ol
CID 117338492
1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 59129550
1-(6-chloro-4H-1,3-benzodioxin-8-yl)cyclopentane-1-carboxylic acid
CID 117454296
1-(6-fluoro-4H-1,3-benzodioxin-7-yl)cyclopentane-1-carboxylic acid
CID 117419384
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid
CID 117493667

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid (CID 117410085) is 1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2cc3c(cc2O)COC3)CCCCC1.
What is the InChIKey of 1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid?
The InChIKey is FCKOUHRBCCEWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c16-13-7-11-9-19-8-10(11)6-12(13)15(14(17)18)4-2-1-3-5-15/h6-7,16H,1-5,8-9H2,(H,17,18).
What are the key properties of 1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid?
1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117410085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).