1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol

C17H24O2 — CID 115836093

IUPAC1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol
SMILESCC(CC(O)c1cc2ccccc2o1)CC(C)(C)C
InChIInChI=1S/C17H24O2/c1-12(11-17(2,3)4)9-14(18)16-10-13-7-5-6-8-15(13)19-16/h5-8,10,12,14,18H,9,11H2,1-4H3
InChIKeyRWGGQOAJEYEXCS-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.93
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol

1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol (PubChem CID 115836093) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol
PubChem CID115836093
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol
SMILESCC(CC(O)c1cc2ccccc2o1)CC(C)(C)C
InChIInChI=1S/C17H24O2/c1-12(11-17(2,3)4)9-14(18)16-10-13-7-5-6-8-15(13)19-16/h5-8,10,12,14,18H,9,11H2,1-4H3
InChIKeyRWGGQOAJEYEXCS-UHFFFAOYSA-N
XLogP4.93
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-ol
CID 115836469
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712
1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-one
CID 115807008
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 115942479
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
CID 115574060
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
CID 71150503

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol (CID 115836093) is 1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol is CC(CC(O)c1cc2ccccc2o1)CC(C)(C)C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol?
The InChIKey is RWGGQOAJEYEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12(11-17(2,3)4)9-14(18)16-10-13-7-5-6-8-15(13)19-16/h5-8,10,12,14,18H,9,11H2,1-4H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol?
1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol is sourced from PubChem (CID 115836093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).