(4-benzylphenyl)-(2-bromofuran-3-yl)methanol

C18H15BrO2 — CID 106855403

IUPAC(4-benzylphenyl)-(2-bromofuran-3-yl)methanol
SMILESOC(c1ccc(Cc2ccccc2)cc1)c1ccoc1Br
InChIInChI=1S/C18H15BrO2/c19-18-16(10-11-21-18)17(20)15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-11,17,20H,12H2
InChIKeyOUKLTAHIXHSZBH-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.71
Rot. Bonds4

About (4-benzylphenyl)-(2-bromofuran-3-yl)methanol

(4-benzylphenyl)-(2-bromofuran-3-yl)methanol (PubChem CID 106855403) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is (4-benzylphenyl)-(2-bromofuran-3-yl)methanol.

Molecular Properties

Compound Name(4-benzylphenyl)-(2-bromofuran-3-yl)methanol
PubChem CID106855403
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name(4-benzylphenyl)-(2-bromofuran-3-yl)methanol
SMILESOC(c1ccc(Cc2ccccc2)cc1)c1ccoc1Br
InChIInChI=1S/C18H15BrO2/c19-18-16(10-11-21-18)17(20)15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-11,17,20H,12H2
InChIKeyOUKLTAHIXHSZBH-UHFFFAOYSA-N
XLogP4.71
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-benzylphenyl)-(2-bromofuran-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-benzylphenyl)-chloromethyl]-2-bromofuran
CID 106855653
(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
CID 106855309
(2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol
CID 106855338
(2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol
CID 106855312
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 106855316
(2-ethylfuran-3-yl)-(4-ethylphenyl)methanol
CID 114103668
1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 106857333
1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine
CID 106851546
6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 106855347
(2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 106855386
1-(2-bromofuran-3-yl)-2-methylpropan-1-ol
CID 106859599
phenyl(113C)methylbenzene
CID 11194569

Frequently Asked Questions

What is the IUPAC name of (4-benzylphenyl)-(2-bromofuran-3-yl)methanol?
The IUPAC name of (4-benzylphenyl)-(2-bromofuran-3-yl)methanol (CID 106855403) is (4-benzylphenyl)-(2-bromofuran-3-yl)methanol.
What is the SMILES notation for (4-benzylphenyl)-(2-bromofuran-3-yl)methanol?
The canonical SMILES for (4-benzylphenyl)-(2-bromofuran-3-yl)methanol is OC(c1ccc(Cc2ccccc2)cc1)c1ccoc1Br.
What is the InChIKey of (4-benzylphenyl)-(2-bromofuran-3-yl)methanol?
The InChIKey is OUKLTAHIXHSZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO2/c19-18-16(10-11-21-18)17(20)15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-11,17,20H,12H2.
What are the key properties of (4-benzylphenyl)-(2-bromofuran-3-yl)methanol?
(4-benzylphenyl)-(2-bromofuran-3-yl)methanol has a molecular weight of 343.22 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylphenyl)-(2-bromofuran-3-yl)methanol is sourced from PubChem (CID 106855403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).