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

C12H16O2 — CID 117199454

IUPAC2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
SMILESCc1cccc2c1C(C(C)(C)O)CO2
InChIInChI=1S/C12H16O2/c1-8-5-4-6-10-11(8)9(7-14-10)12(2,3)13/h4-6,9,13H,7H2,1-3H3
InChIKeyKOOKXQWFJFCWQY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.24
Rot. Bonds1

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

2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol (PubChem CID 117199454) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
PubChem CID117199454
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
SMILESCc1cccc2c1C(C(C)(C)O)CO2
InChIInChI=1S/C12H16O2/c1-8-5-4-6-10-11(8)9(7-14-10)12(2,3)13/h4-6,9,13H,7H2,1-3H3
InChIKeyKOOKXQWFJFCWQY-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 117199471
2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol
CID 84665334
2-methyl-2-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propanoic acid
CID 117199246
1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
CID 117199656
5-methyl-3,4-dihydro-2H-chromen-3-ol
CID 89155402
3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran
CID 134427945
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
4-(2,6-dimethylphenyl)-2-[2-[4-(2,6-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 20673027
5,12-dimethyl-4,17-dioxa-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-5,11,13,15-tetraene
CID 101410555
2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol
CID 117198214
8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene
CID 22971527
(3S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 26006861

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol?
The IUPAC name of 2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol (CID 117199454) is 2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol?
The canonical SMILES for 2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol is Cc1cccc2c1C(C(C)(C)O)CO2.
What is the InChIKey of 2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol?
The InChIKey is KOOKXQWFJFCWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-5-4-6-10-11(8)9(7-14-10)12(2,3)13/h4-6,9,13H,7H2,1-3H3.
What are the key properties of 2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol?
2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol has a molecular weight of 192.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol is sourced from PubChem (CID 117199454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).