(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol

C18H18O2 — CID 114723460

IUPAC(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc3cc(C)ccc3o2)cc1
InChIInChI=1S/C18H18O2/c1-3-13-5-7-14(8-6-13)18(19)17-11-15-10-12(2)4-9-16(15)20-17/h4-11,18-19H,3H2,1-2H3
InChIKeyCCDDDVBAOWZTEH-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.39
Rot. Bonds3

About (4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol

(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114723460) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID114723460
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc3cc(C)ccc3o2)cc1
InChIInChI=1S/C18H18O2/c1-3-13-5-7-14(8-6-13)18(19)17-11-15-10-12(2)4-9-16(15)20-17/h4-11,18-19H,3H2,1-2H3
InChIKeyCCDDDVBAOWZTEH-UHFFFAOYSA-N
XLogP4.39
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727481
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
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
1-(5-ethyl-1-benzofuran-2-yl)butan-1-ol
CID 65439756
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105129238
3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol
CID 170887613

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 114723460) is (4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is CCc1ccc(C(O)c2cc3cc(C)ccc3o2)cc1.
What is the InChIKey of (4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is CCDDDVBAOWZTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-13-5-7-14(8-6-13)18(19)17-11-15-10-12(2)4-9-16(15)20-17/h4-11,18-19H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 266.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).