2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol

C18H18O3 — CID 114726335

IUPAC2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
SMILESCOc1cccc(CC(O)c2cc3cccc(C)c3o2)c1
InChIInChI=1S/C18H18O3/c1-12-5-3-7-14-11-17(21-18(12)14)16(19)10-13-6-4-8-15(9-13)20-2/h3-9,11,16,19H,10H2,1-2H3
InChIKeyRKPIVJSFULIGCS-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.03
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol

2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 114726335) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
PubChem CID114726335
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
SMILESCOc1cccc(CC(O)c2cc3cccc(C)c3o2)c1
InChIInChI=1S/C18H18O3/c1-12-5-3-7-14-11-17(21-18(12)14)16(19)10-13-6-4-8-15(9-13)20-2/h3-9,11,16,19H,10H2,1-2H3
InChIKeyRKPIVJSFULIGCS-UHFFFAOYSA-N
XLogP4.03
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 61262736
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725058
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
CID 103027711
1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
CID 114726389
1-(4-fluoro-2-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 55115802
1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
CID 65297136
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726617
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129255
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62801984
1-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018644

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol (CID 114726335) is 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol is COc1cccc(CC(O)c2cc3cccc(C)c3o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is RKPIVJSFULIGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-12-5-3-7-14-11-17(21-18(12)14)16(19)10-13-6-4-8-15(9-13)20-2/h3-9,11,16,19H,10H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol?
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol has a molecular weight of 282.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 114726335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).