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

C12H16O2 — CID 117203359

IUPAC2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
SMILESCC1COc2ccc(C(C)(C)O)cc21
InChIInChI=1S/C12H16O2/c1-8-7-14-11-5-4-9(6-10(8)11)12(2,3)13/h4-6,8,13H,7H2,1-3H3
InChIKeyBLSGETYPQUXNNC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.41
Rot. Bonds1

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

2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol (PubChem CID 117203359) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
PubChem CID117203359
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
SMILESCC1COc2ccc(C(C)(C)O)cc21
InChIInChI=1S/C12H16O2/c1-8-7-14-11-5-4-9(6-10(8)11)12(2,3)13/h4-6,8,13H,7H2,1-3H3
InChIKeyBLSGETYPQUXNNC-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2,3-dihydro-1-benzofuran-5-thiol
CID 155261995
2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 117203462
5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512181
2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one
CID 66805335
2-(1,3-benzoxathiol-6-yl)propan-2-ol
CID 84667074
N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512363
1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
CID 117201917
6-(2-hydroxypropan-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 117315574
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
8-tert-butyl-2-phenyl-4,9b-dihydro-3aH-chromeno[3,4-c]pyrrole-1,3-dione
CID 102363898

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol?
The IUPAC name of 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol (CID 117203359) is 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol.
What is the SMILES notation for 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol?
The canonical SMILES for 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol is CC1COc2ccc(C(C)(C)O)cc21.
What is the InChIKey of 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol?
The InChIKey is BLSGETYPQUXNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-7-14-11-5-4-9(6-10(8)11)12(2,3)13/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol?
2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol has a molecular weight of 192.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol is sourced from PubChem (CID 117203359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).