2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol

C13H16O2 — CID 117292658

IUPAC2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol
SMILESCc1oc2cc(C(C)CO)ccc2c1C
InChIInChI=1S/C13H16O2/c1-8(7-14)11-4-5-12-9(2)10(3)15-13(12)6-11/h4-6,8,14H,7H2,1-3H3
InChIKeyCCZUKSHBJXTQCA-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.15
Rot. Bonds2

About 2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol

2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol (PubChem CID 117292658) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol
PubChem CID117292658
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol
SMILESCc1oc2cc(C(C)CO)ccc2c1C
InChIInChI=1S/C13H16O2/c1-8(7-14)11-4-5-12-9(2)10(3)15-13(12)6-11/h4-6,8,14H,7H2,1-3H3
InChIKeyCCZUKSHBJXTQCA-UHFFFAOYSA-N
XLogP3.15
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-2,3-dimethyl-1-benzofuran
CID 121007663
2,3,6,7-tetramethylfuro[2,3-f][1]benzofuran
CID 170670996
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
2-[2-cyano-1-(2,3-dimethyl-1-benzofuran-6-yl)butyl]-2-ethylpropanedioic acid
CID 70566078
1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol
CID 117308163
2-(3-methylphenyl)propan-1-ol
CID 21478686
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
1-(2,3-dimethyl-1-benzofuran-6-yl)cyclopropan-1-ol
CID 117290840
2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol
CID 117286493
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
CID 117297903
2,3-dimethyl-1-benzofuran;ethane
CID 142047308

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol?
The IUPAC name of 2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol (CID 117292658) is 2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol.
What is the SMILES notation for 2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol?
The canonical SMILES for 2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol is Cc1oc2cc(C(C)CO)ccc2c1C.
What is the InChIKey of 2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol?
The InChIKey is CCZUKSHBJXTQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8(7-14)11-4-5-12-9(2)10(3)15-13(12)6-11/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol?
2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1-benzofuran-6-yl)propan-1-ol is sourced from PubChem (CID 117292658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).