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

C18H26O2 — CID 114794918

IUPAC2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
SMILESCC(O)(CCc1ccc2c(c1)CCO2)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-18(19,16-5-3-2-4-6-16)11-9-14-7-8-17-15(13-14)10-12-20-17/h7-8,13,16,19H,2-6,9-12H2,1H3
InChIKeyDUVRJYOFYDYZTM-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.89
Rot. Bonds4

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

2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol (PubChem CID 114794918) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
PubChem CID114794918
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
SMILESCC(O)(CCc1ccc2c(c1)CCO2)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-18(19,16-5-3-2-4-6-16)11-9-14-7-8-17-15(13-14)10-12-20-17/h7-8,13,16,19H,2-6,9-12H2,1H3
InChIKeyDUVRJYOFYDYZTM-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol
CID 65446028
6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol
CID 65442461
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
CID 65308355
1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 114974294
N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136296
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 65445563
2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 65445174
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 115137029
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol?
The IUPAC name of 2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol (CID 114794918) is 2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol.
What is the SMILES notation for 2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol?
The canonical SMILES for 2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol is CC(O)(CCc1ccc2c(c1)CCO2)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol?
The InChIKey is DUVRJYOFYDYZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-18(19,16-5-3-2-4-6-16)11-9-14-7-8-17-15(13-14)10-12-20-17/h7-8,13,16,19H,2-6,9-12H2,1H3.
What are the key properties of 2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol?
2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol is sourced from PubChem (CID 114794918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).