4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol

C19H22O2 — CID 65446028

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol
SMILESCc1ccc(C(C)(O)CCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H22O2/c1-14-3-6-17(7-4-14)19(2,20)11-9-15-5-8-18-16(13-15)10-12-21-18/h3-8,13,20H,9-12H2,1-2H3
InChIKeySHUPWEMARJXOKA-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.77
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol

4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol (PubChem CID 65446028) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol
PubChem CID65446028
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol
SMILESCc1ccc(C(C)(O)CCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H22O2/c1-14-3-6-17(7-4-14)19(2,20)11-9-15-5-8-18-16(13-15)10-12-21-18/h3-8,13,20H,9-12H2,1-2H3
InChIKeySHUPWEMARJXOKA-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 114794918
6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol
CID 65442461
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
CID 65308355
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
CID 65446280
N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
3-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135033
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol (CID 65446028) is 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol is Cc1ccc(C(C)(O)CCc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol?
The InChIKey is SHUPWEMARJXOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14-3-6-17(7-4-14)19(2,20)11-9-15-5-8-18-16(13-15)10-12-21-18/h3-8,13,20H,9-12H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol?
4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol is sourced from PubChem (CID 65446028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).