(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol

C17H16O3 — CID 15307875

IUPAC(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol
SMILESCOc1ccc(C(O)c2c(C)oc3ccccc23)cc1
InChIInChI=1S/C17H16O3/c1-11-16(14-5-3-4-6-15(14)20-11)17(18)12-7-9-13(19-2)10-8-12/h3-10,17-18H,1-2H3
InChIKeyVACOOGXPSBBFTL-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.83
Rot. Bonds3

About (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol

(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol (PubChem CID 15307875) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol
PubChem CID15307875
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol
SMILESCOc1ccc(C(O)c2c(C)oc3ccccc23)cc1
InChIInChI=1S/C17H16O3/c1-11-16(14-5-3-4-6-15(14)20-11)17(18)12-7-9-13(19-2)10-8-12/h3-10,17-18H,1-2H3
InChIKeyVACOOGXPSBBFTL-UHFFFAOYSA-N
XLogP3.83
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153068
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]chromen-2-one
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(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(4-methoxyphenyl)-(4-methylquinolin-2-yl)methanol
CID 114754870
[2-(hydroxymethyl)-6-methoxyphenyl]-(4-methoxyphenyl)methanol
CID 15548223
3-(4-hydroxy-2-oxochromen-3-yl)-3-(4-methoxyphenyl)propanoic acid
CID 54687528
methyl 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butanoate
CID 116987431
isoquinolin-1-yl-(4-methoxyphenyl)methanol
CID 4211286
(5-bromofuran-2-yl)-(4-methoxyphenyl)methanol
CID 61099698
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol?
The IUPAC name of (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol (CID 15307875) is (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol?
The canonical SMILES for (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol is COc1ccc(C(O)c2c(C)oc3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol?
The InChIKey is VACOOGXPSBBFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-16(14-5-3-4-6-15(14)20-11)17(18)12-7-9-13(19-2)10-8-12/h3-10,17-18H,1-2H3.
What are the key properties of (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol?
(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol has a molecular weight of 268.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 15307875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).