3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol

C16H14O3 — CID 117174239

IUPAC3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol
SMILESCc1ccccc1OCc1coc2ccc(O)cc12
InChIInChI=1S/C16H14O3/c1-11-4-2-3-5-15(11)18-9-12-10-19-16-7-6-13(17)8-14(12)16/h2-8,10,17H,9H2,1H3
InChIKeyPXWZCBANSWWDOD-UHFFFAOYSA-N
MW254.28 g/mol
LogP4.03
Rot. Bonds3

About 3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol

3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol (PubChem CID 117174239) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol
PubChem CID117174239
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol
SMILESCc1ccccc1OCc1coc2ccc(O)cc12
InChIInChI=1S/C16H14O3/c1-11-4-2-3-5-15(11)18-9-12-10-19-16-7-6-13(17)8-14(12)16/h2-8,10,17H,9H2,1H3
InChIKeyPXWZCBANSWWDOD-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 ≤ 500254.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylphenoxy)methyl]-1-benzofuran-5-carboxylic acid
CID 117174375
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol
CID 117185001
7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117181030
3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine
CID 117174245
1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol
CID 117178934
3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117170334
2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol
CID 117179784
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol
CID 117174167
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
[2-[[5-[3-(1-aminoethyl)phenyl]-1-benzofuran-3-yl]methoxy]phenyl] acetate
CID 175779214

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol?
The IUPAC name of 3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol (CID 117174239) is 3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol is Cc1ccccc1OCc1coc2ccc(O)cc12.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol?
The InChIKey is PXWZCBANSWWDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11-4-2-3-5-15(11)18-9-12-10-19-16-7-6-13(17)8-14(12)16/h2-8,10,17H,9H2,1H3.
What are the key properties of 3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol?
3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol has a molecular weight of 254.28 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 3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol is sourced from PubChem (CID 117174239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).