[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol

C15H15BrO2 — CID 86004724

IUPAC[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(CBr)cc2)cc1
InChIInChI=1S/C15H15BrO2/c16-9-12-1-3-14(4-2-12)11-18-15-7-5-13(10-17)6-8-15/h1-8,17H,9-11H2
InChIKeyQBQNUWUCQVYDTO-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.65
Rot. Bonds5

About [4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol

[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol (PubChem CID 86004724) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is [4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
PubChem CID86004724
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(CBr)cc2)cc1
InChIInChI=1S/C15H15BrO2/c16-9-12-1-3-14(4-2-12)11-18-15-7-5-13(10-17)6-8-15/h1-8,17H,9-11H2
InChIKeyQBQNUWUCQVYDTO-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 177328592
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
CID 4686859
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
[4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol
CID 115557532
[4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol
CID 107723971
[4-(fluoromethoxy)phenyl]methanol
CID 54255227
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol?
The IUPAC name of [4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol (CID 86004724) is [4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol is OCc1ccc(OCc2ccc(CBr)cc2)cc1.
What is the InChIKey of [4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol?
The InChIKey is QBQNUWUCQVYDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c16-9-12-1-3-14(4-2-12)11-18-15-7-5-13(10-17)6-8-15/h1-8,17H,9-11H2.
What are the key properties of [4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol?
[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol has a molecular weight of 307.19 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 86004724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).