1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol

C17H24O2 — CID 114743207

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2cccc3c2OCC3)CC1
InChIInChI=1S/C17H24O2/c1-12(2)13-6-9-17(18,10-7-13)15-5-3-4-14-8-11-19-16(14)15/h3-5,12-13,18H,6-11H2,1-2H3
InChIKeyKCKVNOJEMFARGL-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.66
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol

1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 114743207) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID114743207
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2cccc3c2OCC3)CC1
InChIInChI=1S/C17H24O2/c1-12(2)13-6-9-17(18,10-7-13)15-5-3-4-14-8-11-19-16(14)15/h3-5,12-13,18H,6-11H2,1-2H3
InChIKeyKCKVNOJEMFARGL-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

1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
CID 114743729
1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
CID 114743453
1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
CID 114747423
1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol
CID 114747425
1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63406978
1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 82805715
4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol
CID 114743663
1-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-2,3-dihydroinden-1-ol
CID 114743658
4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol
CID 114743718
3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol
CID 114743211
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol (CID 114743207) is 1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)(c2cccc3c2OCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is KCKVNOJEMFARGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12(2)13-6-9-17(18,10-7-13)15-5-3-4-14-8-11-19-16(14)15/h3-5,12-13,18H,6-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol?
1-(2,3-dihydro-1-benzofuran-7-yl)-4-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-7-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 114743207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).