2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol

C16H14O3 — CID 117182822

IUPAC2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol
SMILESCc1ccc(OCc2cc3cccc(O)c3o2)cc1
InChIInChI=1S/C16H14O3/c1-11-5-7-13(8-6-11)18-10-14-9-12-3-2-4-15(17)16(12)19-14/h2-9,17H,10H2,1H3
InChIKeyVGPMCFFSGDMXKP-UHFFFAOYSA-N
MW254.29 g/mol
LogP4.03
Rot. Bonds3

About 2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol

2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol (PubChem CID 117182822) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol
PubChem CID117182822
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol
SMILESCc1ccc(OCc2cc3cccc(O)c3o2)cc1
InChIInChI=1S/C16H14O3/c1-11-5-7-13(8-6-11)18-10-14-9-12-3-2-4-15(17)16(12)19-14/h2-9,17H,10H2,1H3
InChIKeyVGPMCFFSGDMXKP-UHFFFAOYSA-N
XLogP4.03
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182831
2-(pyridin-3-yloxymethyl)-1-benzofuran-7-ol
CID 117182846
2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182804
7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117186365
2-(aminooxymethyl)-1-benzofuran-7-ol
CID 117197013
7-fluoro-2-(phenoxymethyl)-1-benzofuran
CID 117182764
2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258
7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117182771
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
8-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 73355033
7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one
CID 59603185

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol (CID 117182822) is 2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol is Cc1ccc(OCc2cc3cccc(O)c3o2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol?
The InChIKey is VGPMCFFSGDMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11-5-7-13(8-6-11)18-10-14-9-12-3-2-4-15(17)16(12)19-14/h2-9,17H,10H2,1H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol?
2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol has a molecular weight of 254.29 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol is sourced from PubChem (CID 117182822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).