4-(bromomethyl)-1-methoxy-2-phenylbenzene

C14H13BrO — CID 143810171

IUPAC4-(bromomethyl)-1-methoxy-2-phenylbenzene
SMILESCOc1ccc(CBr)cc1-c1ccccc1
InChIInChI=1S/C14H13BrO/c1-16-14-8-7-11(10-15)9-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyVXVWWHVLBOZKEK-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.26
Rot. Bonds3

About 4-(bromomethyl)-1-methoxy-2-phenylbenzene

4-(bromomethyl)-1-methoxy-2-phenylbenzene (PubChem CID 143810171) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 4-(bromomethyl)-1-methoxy-2-phenylbenzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-methoxy-2-phenylbenzene
PubChem CID143810171
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name4-(bromomethyl)-1-methoxy-2-phenylbenzene
SMILESCOc1ccc(CBr)cc1-c1ccccc1
InChIInChI=1S/C14H13BrO/c1-16-14-8-7-11(10-15)9-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyVXVWWHVLBOZKEK-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
O-[2-(4-methoxy-3-phenylphenyl)ethyl]hydroxylamine
CID 117360142
1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene
CID 11569608
1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one
CID 58020328
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
2-[(4-methoxy-3-phenylphenyl)methyl]piperidine
CID 117451820
2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
CID 68544414
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
1-(bromomethyl)-3-(2-phenylphenyl)benzene
CID 67009845
[5-(bromomethyl)-2-methoxyphenyl]boronic acid
CID 100973715

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-methoxy-2-phenylbenzene?
The IUPAC name of 4-(bromomethyl)-1-methoxy-2-phenylbenzene (CID 143810171) is 4-(bromomethyl)-1-methoxy-2-phenylbenzene.
What is the SMILES notation for 4-(bromomethyl)-1-methoxy-2-phenylbenzene?
The canonical SMILES for 4-(bromomethyl)-1-methoxy-2-phenylbenzene is COc1ccc(CBr)cc1-c1ccccc1.
What is the InChIKey of 4-(bromomethyl)-1-methoxy-2-phenylbenzene?
The InChIKey is VXVWWHVLBOZKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-16-14-8-7-11(10-15)9-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 4-(bromomethyl)-1-methoxy-2-phenylbenzene?
4-(bromomethyl)-1-methoxy-2-phenylbenzene has a molecular weight of 277.16 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-methoxy-2-phenylbenzene is sourced from PubChem (CID 143810171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).