1-bromo-4-(phenylmethoxymethyl)benzene

C14H13BrO — CID 11254408

IUPAC1-bromo-4-(phenylmethoxymethyl)benzene
SMILESBrc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H13BrO/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyZXRUEEXLUHVBQW-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.17
Rot. Bonds4

About 1-bromo-4-(phenylmethoxymethyl)benzene

1-bromo-4-(phenylmethoxymethyl)benzene (PubChem CID 11254408) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-bromo-4-(phenylmethoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(phenylmethoxymethyl)benzene
PubChem CID11254408
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-bromo-4-(phenylmethoxymethyl)benzene
SMILESBrc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H13BrO/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyZXRUEEXLUHVBQW-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzyl ether
CID 7657
p-Bromobenzhydryl alcohol
CID 98221
2-(4-Bromophenyl)oxirane
CID 119460
1-Bromo-4-(phenoxymethyl)benzene
CID 726149
Benzene, ((2-bromoethoxy)methyl)-
CID 73833
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
Benzyl 3-Bromopropyl Ether
CID 2776064
Benzyl 6-Bromohexyl Ether
CID 2784764
((4-Bromobutoxy)methyl)benzene
CID 4422181
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
(2S)-2-(4-bromophenyl)oxirane
CID 12163514
4-Bromobenzyl methyl ether
CID 12662296

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(phenylmethoxymethyl)benzene?
The IUPAC name of 1-bromo-4-(phenylmethoxymethyl)benzene (CID 11254408) is 1-bromo-4-(phenylmethoxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-(phenylmethoxymethyl)benzene?
The canonical SMILES for 1-bromo-4-(phenylmethoxymethyl)benzene is Brc1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-(phenylmethoxymethyl)benzene?
The InChIKey is ZXRUEEXLUHVBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 1-bromo-4-(phenylmethoxymethyl)benzene?
1-bromo-4-(phenylmethoxymethyl)benzene has a molecular weight of 277.16 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(phenylmethoxymethyl)benzene is sourced from PubChem (CID 11254408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).