[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol

C15H15BrO2 — CID 177328592

IUPAC[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
SMILESOCc1cccc(OCc2ccc(CBr)cc2)c1
InChIInChI=1S/C15H15BrO2/c16-9-12-4-6-13(7-5-12)11-18-15-3-1-2-14(8-15)10-17/h1-8,17H,9-11H2
InChIKeyLHDPMRNYBXCWIB-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.65
Rot. Bonds5

About [3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol

[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol (PubChem CID 177328592) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is [3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
PubChem CID177328592
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
SMILESOCc1cccc(OCc2ccc(CBr)cc2)c1
InChIInChI=1S/C15H15BrO2/c16-9-12-4-6-13(7-5-12)11-18-15-3-1-2-14(8-15)10-17/h1-8,17H,9-11H2
InChIKeyLHDPMRNYBXCWIB-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

[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 86004724
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
[3-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]methanol
CID 111770249
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
[3-(oxiren-2-ylmethoxy)phenyl]methanol
CID 163982140
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
[3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol
CID 62472318
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
ethane;[3-(2-fluoroethoxy)phenyl]methanol
CID 144572015
2-fluoro-5-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 107882215

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol?
The IUPAC name of [3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol (CID 177328592) is [3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol is OCc1cccc(OCc2ccc(CBr)cc2)c1.
What is the InChIKey of [3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol?
The InChIKey is LHDPMRNYBXCWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c16-9-12-4-6-13(7-5-12)11-18-15-3-1-2-14(8-15)10-17/h1-8,17H,9-11H2.
What are the key properties of [3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol?
[3-[[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 [3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 177328592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).