1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol

C17H18O4 — CID 63019197

IUPAC1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C17H18O4/c1-19-15-6-13(7-16(8-15)20-2)17(18)11-3-4-12-9-21-10-14(12)5-11/h3-8,17-18H,9-10H2,1-2H3
InChIKeyVPFRGQKSHAVUJS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.82
Rot. Bonds4

About 1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol

1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol (PubChem CID 63019197) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
PubChem CID63019197
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C17H18O4/c1-19-15-6-13(7-16(8-15)20-2)17(18)11-3-4-12-9-21-10-14(12)5-11/h3-8,17-18H,9-10H2,1-2H3
InChIKeyVPFRGQKSHAVUJS-UHFFFAOYSA-N
XLogP2.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol
CID 63743179
(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63743010
1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 61100594
1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
CID 55144052
1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol
CID 63020951
1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol
CID 63019025
5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63743696
1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine
CID 105026056
N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
CID 63019538
(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran
CID 63021484

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol (CID 63019197) is 1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol is COc1cc(OC)cc(C(O)c2ccc3c(c2)COC3)c1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol?
The InChIKey is VPFRGQKSHAVUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-15-6-13(7-16(8-15)20-2)17(18)11-3-4-12-9-21-10-14(12)5-11/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol?
1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol has a molecular weight of 286.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 63019197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).