[4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol

C15H15BrO2 — CID 11278213

IUPAC[4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol
SMILESOCc1ccccc1Cc1cc(Br)ccc1CO
InChIInChI=1S/C15H15BrO2/c16-15-6-5-13(10-18)14(8-15)7-11-3-1-2-4-12(11)9-17/h1-6,8,17-18H,7,9-10H2
InChIKeyFXIHGPNSPRDZEA-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.02
Rot. Bonds4

About [4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol

[4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol (PubChem CID 11278213) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is [4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol
PubChem CID11278213
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name[4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol
SMILESOCc1ccccc1Cc1cc(Br)ccc1CO
InChIInChI=1S/C15H15BrO2/c16-15-6-5-13(10-18)14(8-15)7-11-3-1-2-4-12(11)9-17/h1-6,8,17-18H,7,9-10H2
InChIKeyFXIHGPNSPRDZEA-UHFFFAOYSA-N
XLogP3.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol?
The IUPAC name of [4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol (CID 11278213) is [4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol.
What is the SMILES notation for [4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol?
The canonical SMILES for [4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol is OCc1ccccc1Cc1cc(Br)ccc1CO.
What is the InChIKey of [4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol?
The InChIKey is FXIHGPNSPRDZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c16-15-6-5-13(10-18)14(8-15)7-11-3-1-2-4-12(11)9-17/h1-6,8,17-18H,7,9-10H2.
What are the key properties of [4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol?
[4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol has a molecular weight of 307.19 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol is sourced from PubChem (CID 11278213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).