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

C19H22O2 — CID 61081250

IUPAC1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C19H22O2/c1-3-17(14-7-5-4-6-8-14)19(20)15-9-10-18-16(12-15)11-13(2)21-18/h4-10,12-13,17,19-20H,3,11H2,1-2H3
InChIKeyRNGYZXISAMLWSA-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.24
Rot. Bonds4

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

1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol (PubChem CID 61081250) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol
PubChem CID61081250
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C19H22O2/c1-3-17(14-7-5-4-6-8-14)19(20)15-9-10-18-16(12-15)11-13(2)21-18/h4-10,12-13,17,19-20H,3,11H2,1-2H3
InChIKeyRNGYZXISAMLWSA-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 61082441
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
(2-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61082038
5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
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
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61081834
1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
CID 55197519
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol?
The IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol (CID 61081250) is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol.
What is the SMILES notation for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol?
The canonical SMILES for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol is CCC(c1ccccc1)C(O)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol?
The InChIKey is RNGYZXISAMLWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-17(14-7-5-4-6-8-14)19(20)15-9-10-18-16(12-15)11-13(2)21-18/h4-10,12-13,17,19-20H,3,11H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol?
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol is sourced from PubChem (CID 61081250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).