1-bromo-2-methyl-4-phenylmethoxybenzene

C14H13BrO — CID 2756639

IUPAC1-bromo-2-methyl-4-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C14H13BrO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyKOLLVAZFQFRSHI-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.34
Rot. Bonds3

About 1-bromo-2-methyl-4-phenylmethoxybenzene

1-bromo-2-methyl-4-phenylmethoxybenzene (PubChem CID 2756639) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-bromo-2-methyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-methyl-4-phenylmethoxybenzene
PubChem CID2756639
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-bromo-2-methyl-4-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C14H13BrO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyKOLLVAZFQFRSHI-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-4-phenylmethoxybenzene?
The IUPAC name of 1-bromo-2-methyl-4-phenylmethoxybenzene (CID 2756639) is 1-bromo-2-methyl-4-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-2-methyl-4-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-2-methyl-4-phenylmethoxybenzene is Cc1cc(OCc2ccccc2)ccc1Br.
What is the InChIKey of 1-bromo-2-methyl-4-phenylmethoxybenzene?
The InChIKey is KOLLVAZFQFRSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-bromo-2-methyl-4-phenylmethoxybenzene?
1-bromo-2-methyl-4-phenylmethoxybenzene has a molecular weight of 277.16 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methyl-4-phenylmethoxybenzene is sourced from PubChem (CID 2756639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).