[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol

C18H18O3 — CID 114724037

IUPAC[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCOCc1ccccc1C(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H18O3/c1-12-7-8-16-14(9-12)10-17(21-16)18(19)15-6-4-3-5-13(15)11-20-2/h3-10,18-19H,11H2,1-2H3
InChIKeyCJVQDIMMZKCILH-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.97
Rot. Bonds4

About [2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol

[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114724037) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID114724037
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCOCc1ccccc1C(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H18O3/c1-12-7-8-16-14(9-12)10-17(21-16)18(19)15-6-4-3-5-13(15)11-20-2/h3-10,18-19H,11H2,1-2H3
InChIKeyCJVQDIMMZKCILH-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129184
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methyl-1-benzofuran
CID 63542288
3-methyl-1-(5-methyl-1-benzofuran-2-yl)but-2-en-1-ol
CID 105110231
5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid
CID 106946154
2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol
CID 114727398
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836357
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of [2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol (CID 114724037) is [2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for [2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for [2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol is COCc1ccccc1C(O)c1cc2cc(C)ccc2o1.
What is the InChIKey of [2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is CJVQDIMMZKCILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-12-7-8-16-14(9-12)10-17(21-16)18(19)15-6-4-3-5-13(15)11-20-2/h3-10,18-19H,11H2,1-2H3.
What are the key properties of [2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol?
[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 282.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114724037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).