1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol

C19H20O2 — CID 105129184

IUPAC1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccc2oc(C(O)CCc3ccccc3C)cc2c1
InChIInChI=1S/C19H20O2/c1-13-7-10-18-16(11-13)12-19(21-18)17(20)9-8-15-6-4-3-5-14(15)2/h3-7,10-12,17,20H,8-9H2,1-2H3
InChIKeyPRBAAYBGOGCAHG-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.72
Rot. Bonds4

About 1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol

1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol (PubChem CID 105129184) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
PubChem CID105129184
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccc2oc(C(O)CCc3ccccc3C)cc2c1
InChIInChI=1S/C19H20O2/c1-13-7-10-18-16(11-13)12-19(21-18)17(20)9-8-15-6-4-3-5-14(15)2/h3-7,10-12,17,20H,8-9H2,1-2H3
InChIKeyPRBAAYBGOGCAHG-UHFFFAOYSA-N
XLogP4.72
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129170
3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 105129193
[1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208272
3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726904
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724037

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol (CID 105129184) is 1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol is Cc1ccc2oc(C(O)CCc3ccccc3C)cc2c1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol?
The InChIKey is PRBAAYBGOGCAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13-7-10-18-16(11-13)12-19(21-18)17(20)9-8-15-6-4-3-5-14(15)2/h3-7,10-12,17,20H,8-9H2,1-2H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol?
1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 105129184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).