3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol

C19H22O2 — CID 65447174

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCc2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C19H22O2/c1-13-3-6-16(11-14(13)2)18(20)7-4-15-5-8-19-17(12-15)9-10-21-19/h3,5-6,8,11-12,18,20H,4,7,9-10H2,1-2H3
InChIKeyPTHMBJVEIRJQBV-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.90
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol (PubChem CID 65447174) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
PubChem CID65447174
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCc2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C19H22O2/c1-13-3-6-16(11-14(13)2)18(20)7-4-15-5-8-19-17(12-15)9-10-21-19/h3,5-6,8,11-12,18,20H,4,7,9-10H2,1-2H3
InChIKeyPTHMBJVEIRJQBV-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-methylphenyl)propan-1-ol
CID 105125289
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224
1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62538318
1-(3-bromo-4-methylphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864516
1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105125169
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445840
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
CID 61100428

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol (CID 65447174) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol is Cc1ccc(C(O)CCc2ccc3c(c2)CCO3)cc1C.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol?
The InChIKey is PTHMBJVEIRJQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-3-6-16(11-14(13)2)18(20)7-4-15-5-8-19-17(12-15)9-10-21-19/h3,5-6,8,11-12,18,20H,4,7,9-10H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 65447174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).