1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol

C16H22O2 — CID 113425025

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2ccc3c(c2)CCO3)CC1C
InChIInChI=1S/C16H22O2/c1-11-5-7-16(17,10-12(11)2)14-3-4-15-13(9-14)6-8-18-15/h3-4,9,11-12,17H,5-8,10H2,1-2H3
InChIKeyZDJIFLRFPOQRHS-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.27
Rot. Bonds1

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol

1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol (PubChem CID 113425025) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol
PubChem CID113425025
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2ccc3c(c2)CCO3)CC1C
InChIInChI=1S/C16H22O2/c1-11-5-7-16(17,10-12(11)2)14-3-4-15-13(9-14)6-8-18-15/h3-4,9,11-12,17H,5-8,10H2,1-2H3
InChIKeyZDJIFLRFPOQRHS-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol
CID 103564717
1-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 104542080
1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449797
4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol
CID 104542076
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol
CID 106823465
7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960062
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide
CID 159329974
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919
3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol
CID 131076574
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol (CID 113425025) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol is CC1CCC(O)(c2ccc3c(c2)CCO3)CC1C.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol?
The InChIKey is ZDJIFLRFPOQRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-5-7-16(17,10-12(11)2)14-3-4-15-13(9-14)6-8-18-15/h3-4,9,11-12,17H,5-8,10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol?
1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.27, 1 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)-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 113425025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).