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

C12H16O2 — CID 82758743

IUPAC(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESCC[C@@H](O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C12H16O2/c1-3-11(13)9-4-5-12-10(7-9)6-8(2)14-12/h4-5,7-8,11,13H,3,6H2,1-2H3/t8?,11-/m1/s1
InChIKeyGULKHMITJQFHBY-QHDYGNBISA-N
MW192.26 g/mol
LogP2.45
Rot. Bonds2

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

(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (PubChem CID 82758743) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
PubChem CID82758743
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESCC[C@@H](O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C12H16O2/c1-3-11(13)9-4-5-12-10(7-9)6-8(2)14-12/h4-5,7-8,11,13H,3,6H2,1-2H3/t8?,11-/m1/s1
InChIKeyGULKHMITJQFHBY-QHDYGNBISA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol
CID 61081250
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 61082441
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 43493507
5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
CID 43498124
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
CID 43297172
5-(1-chloro-2-ethylhexyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63436804
5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 55199936

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (CID 82758743) is (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is CC[C@@H](O)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is GULKHMITJQFHBY-QHDYGNBISA-N. The full InChI is InChI=1S/C12H16O2/c1-3-11(13)9-4-5-12-10(7-9)6-8(2)14-12/h4-5,7-8,11,13H,3,6H2,1-2H3/t8?,11-/m1/s1.
What are the key properties of (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 82758743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).