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

C15H18O3 — CID 117367919

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C15H18O3/c16-14(17)15(7-2-1-3-8-15)12-4-5-13-11(10-12)6-9-18-13/h4-5,10H,1-3,6-9H2,(H,16,17)
InChIKeyBDGZGUBHKYZGRC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.91
Rot. Bonds2

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

1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid (PubChem CID 117367919) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
PubChem CID117367919
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C15H18O3/c16-14(17)15(7-2-1-3-8-15)12-4-5-13-11(10-12)6-9-18-13/h4-5,10H,1-3,6-9H2,(H,16,17)
InChIKeyBDGZGUBHKYZGRC-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
CID 116844349
1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide
CID 116844327
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117438550
1-(1,3-benzoxathiol-5-yl)cyclohexane-1-carboxylic acid
CID 117415520
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79426418
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
1-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1-carboxylic acid
CID 117443077
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
CID 117367867
2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone
CID 104542328
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid (CID 117367919) is 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2ccc3c(c2)CCO3)CCCCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid?
The InChIKey is BDGZGUBHKYZGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-14(17)15(7-2-1-3-8-15)12-4-5-13-11(10-12)6-9-18-13/h4-5,10H,1-3,6-9H2,(H,16,17).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid?
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117367919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).