1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol

C17H18O3 — CID 63743179

IUPAC1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc3c(c2)COC3)c(C)c1
InChIInChI=1S/C17H18O3/c1-11-7-15(19-2)5-6-16(11)17(18)12-3-4-13-9-20-10-14(13)8-12/h3-8,17-18H,9-10H2,1-2H3
InChIKeyIBWSRRGLXKWNBO-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.12
Rot. Bonds3

About 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol

1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol (PubChem CID 63743179) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol
PubChem CID63743179
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc3c(c2)COC3)c(C)c1
InChIInChI=1S/C17H18O3/c1-11-7-15(19-2)5-6-16(11)17(18)12-3-4-13-9-20-10-14(13)8-12/h3-8,17-18H,9-10H2,1-2H3
InChIKeyIBWSRRGLXKWNBO-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol
CID 63020951
1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 63019197
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63743696
1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol
CID 115817753
[4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol
CID 61101461
(3-fluorophenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101111
(2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 61082278
(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63743010
(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81045709
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
CID 55144052

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol (CID 63743179) is 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol is COc1ccc(C(O)c2ccc3c(c2)COC3)c(C)c1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol?
The InChIKey is IBWSRRGLXKWNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-7-15(19-2)5-6-16(11)17(18)12-3-4-13-9-20-10-14(13)8-12/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol?
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol has a molecular weight of 270.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 63743179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).