[4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol

C18H16O3 — CID 101099932

IUPAC[4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol
SMILESOCc1c(C(O)c2ccccc2)coc1-c1ccccc1
InChIInChI=1S/C18H16O3/c19-11-15-16(17(20)13-7-3-1-4-8-13)12-21-18(15)14-9-5-2-6-10-14/h1-10,12,17,19-20H,11H2
InChIKeyMQBNVYVHOZMDKD-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.52
Rot. Bonds4

About [4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol

[4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol (PubChem CID 101099932) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is [4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol
PubChem CID101099932
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name[4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol
SMILESOCc1c(C(O)c2ccccc2)coc1-c1ccccc1
InChIInChI=1S/C18H16O3/c19-11-15-16(17(20)13-7-3-1-4-8-13)12-21-18(15)14-9-5-2-6-10-14/h1-10,12,17,19-20H,11H2
InChIKeyMQBNVYVHOZMDKD-UHFFFAOYSA-N
XLogP3.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[hydroxy(phenyl)methyl]-2,5-diphenylphenyl]-phenylmethanol
CID 101169550
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
[3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol
CID 59205218
[4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol
CID 3773894
[2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol
CID 132774417
2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol
CID 88593001
3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one
CID 11077963
(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol
CID 125467044
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
[5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol
CID 57342816
phenyl-(2-propan-2-ylthiophen-3-yl)methanol
CID 121226271

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol?
The IUPAC name of [4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol (CID 101099932) is [4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol.
What is the SMILES notation for [4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol?
The canonical SMILES for [4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol is OCc1c(C(O)c2ccccc2)coc1-c1ccccc1.
What is the InChIKey of [4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol?
The InChIKey is MQBNVYVHOZMDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c19-11-15-16(17(20)13-7-3-1-4-8-13)12-21-18(15)14-9-5-2-6-10-14/h1-10,12,17,19-20H,11H2.
What are the key properties of [4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol?
[4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol has a molecular weight of 280.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-5-phenylfuran-3-yl]-phenylmethanol is sourced from PubChem (CID 101099932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).