1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol

C17H24O2 — CID 107449797

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H24O2/c1-12(2)14-4-3-8-17(18,11-14)15-5-6-16-13(10-15)7-9-19-16/h5-6,10,12,14,18H,3-4,7-9,11H2,1-2H3
InChIKeyRPYMSISSOBDUNT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.66
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol

1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449797) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449797
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H24O2/c1-12(2)14-4-3-8-17(18,11-14)15-5-6-16-13(10-15)7-9-19-16/h5-6,10,12,14,18H,3-4,7-9,11H2,1-2H3
InChIKeyRPYMSISSOBDUNT-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol
CID 104542076
1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol
CID 113425025
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-(3-methylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449876
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
3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol
CID 107450011
[2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232601
[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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol (CID 107449797) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is RPYMSISSOBDUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12(2)14-4-3-8-17(18,11-14)15-5-6-16-13(10-15)7-9-19-16/h5-6,10,12,14,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.66, 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)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).