2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol

C19H20O2 — CID 63017844

IUPAC2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(O)Cc3ccc(C)c(C)c3)cc2c1
InChIInChI=1S/C19H20O2/c1-12-4-7-18-16(8-12)11-19(21-18)17(20)10-15-6-5-13(2)14(3)9-15/h4-9,11,17,20H,10H2,1-3H3
InChIKeyZPXLTVPVPSYBAI-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.63
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol

2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 63017844) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
PubChem CID63017844
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(O)Cc3ccc(C)c(C)c3)cc2c1
InChIInChI=1S/C19H20O2/c1-12-4-7-18-16(8-12)11-19(21-18)17(20)10-15-6-5-13(2)14(3)9-15/h4-9,11,17,20H,10H2,1-3H3
InChIKeyZPXLTVPVPSYBAI-UHFFFAOYSA-N
XLogP4.63
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
2-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016416
2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 103053486
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
CID 114735119
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129184
1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129170
3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726904
3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016559

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol (CID 63017844) is 2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol is Cc1ccc2oc(C(O)Cc3ccc(C)c(C)c3)cc2c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is ZPXLTVPVPSYBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-12-4-7-18-16(8-12)11-19(21-18)17(20)10-15-6-5-13(2)14(3)9-15/h4-9,11,17,20H,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol has a molecular weight of 280.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 63017844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).