4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol

C16H14O3 — CID 14213217

IUPAC4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol
SMILESCc1c(-c2ccc(O)cc2)oc2ccc(CO)cc12
InChIInChI=1S/C16H14O3/c1-10-14-8-11(9-17)2-7-15(14)19-16(10)12-3-5-13(18)6-4-12/h2-8,17-18H,9H2,1H3
InChIKeyZOJXGCQANFMKOY-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.61
Rot. Bonds2

About 4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol

4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol (PubChem CID 14213217) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol
PubChem CID14213217
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol
SMILESCc1c(-c2ccc(O)cc2)oc2ccc(CO)cc12
InChIInChI=1S/C16H14O3/c1-10-14-8-11(9-17)2-7-15(14)19-16(10)12-3-5-13(18)6-4-12/h2-8,17-18H,9H2,1H3
InChIKeyZOJXGCQANFMKOY-UHFFFAOYSA-N
XLogP3.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol
CID 172883297
1-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propan-2-one
CID 5319626
3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran
CID 59005297
(3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone
CID 21488054
2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58427526
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
4-[2,4-bis(hydroxymethyl)phenyl]phenol
CID 70444376
(3-methyl-1,2-benzoxazol-5-yl)methanol
CID 84651532
2-(4-hydroxyphenyl)-5-[(E)-prop-1-enyl]-1-benzofuran-3-ol
CID 101035333
6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one
CID 27708
ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
CID 15170240

Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol?
The IUPAC name of 4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol (CID 14213217) is 4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol.
What is the SMILES notation for 4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol?
The canonical SMILES for 4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol is Cc1c(-c2ccc(O)cc2)oc2ccc(CO)cc12.
What is the InChIKey of 4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol?
The InChIKey is ZOJXGCQANFMKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-10-14-8-11(9-17)2-7-15(14)19-16(10)12-3-5-13(18)6-4-12/h2-8,17-18H,9H2,1H3.
What are the key properties of 4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol?
4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol has a molecular weight of 254.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol is sourced from PubChem (CID 14213217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).