[4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol

C13H14O3 — CID 13435365

IUPAC[4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol
SMILESCc1oc(-c2ccccc2)c(CO)c1CO
InChIInChI=1S/C13H14O3/c1-9-11(7-14)12(8-15)13(16-9)10-5-3-2-4-6-10/h2-6,14-15H,7-8H2,1H3
InChIKeyNRJBPHSDFQGGRZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.24
Rot. Bonds3

About [4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol

[4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol (PubChem CID 13435365) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol
PubChem CID13435365
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name[4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol
SMILESCc1oc(-c2ccccc2)c(CO)c1CO
InChIInChI=1S/C13H14O3/c1-9-11(7-14)12(8-15)13(16-9)10-5-3-2-4-6-10/h2-6,14-15H,7-8H2,1H3
InChIKeyNRJBPHSDFQGGRZ-UHFFFAOYSA-N
XLogP2.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-methylphenyl)-4,5-diphenylfuran
CID 15024793
3-benzyl-4-methoxy-2-methyl-5-phenylfuran
CID 102384286
3,5-diethyl-2,6-diphenylpyran-4-one
CID 59161433
2,5-dimethyl-3,6-diphenyl-1,4-dioxine
CID 86144116
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
[4-(2,2-diphenylethenyl)-5-methyl-2-phenylfuran-3-yl]-phenylmethanone
CID 71489456
4-[5-methyl-4-[(2-methylpropan-2-yl)oxy-phenylmethyl]-2-phenylfuran-3-yl]butan-2-one
CID 101493248
[4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol
CID 101099932
3,5-bis(bromomethyl)-2,6-diphenylpyran-4-one
CID 71346571
2,5-dimethyl-3-phenylfuran
CID 598957
3-(bromomethyl)-4-methylsulfanyl-2,5-diphenylfuran
CID 102102119
(4,5-diphenylfuran-2-yl)-phenylmethanone
CID 134830514

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol (CID 13435365) is [4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol is Cc1oc(-c2ccccc2)c(CO)c1CO.
What is the InChIKey of [4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol?
The InChIKey is NRJBPHSDFQGGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-9-11(7-14)12(8-15)13(16-9)10-5-3-2-4-6-10/h2-6,14-15H,7-8H2,1H3.
What are the key properties of [4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol?
[4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol has a molecular weight of 218.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol is sourced from PubChem (CID 13435365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).