2-bromo-1,3-dimethyl-5-phenylmethoxybenzene

C15H15BrO — CID 4270612

IUPAC2-bromo-1,3-dimethyl-5-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)cc(C)c1Br
InChIInChI=1S/C15H15BrO/c1-11-8-14(9-12(2)15(11)16)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyLXPOYZVSGGMEMK-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.64
Rot. Bonds3

About 2-bromo-1,3-dimethyl-5-phenylmethoxybenzene

2-bromo-1,3-dimethyl-5-phenylmethoxybenzene (PubChem CID 4270612) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-bromo-1,3-dimethyl-5-phenylmethoxybenzene.

Molecular Properties

Compound Name2-bromo-1,3-dimethyl-5-phenylmethoxybenzene
PubChem CID4270612
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name2-bromo-1,3-dimethyl-5-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)cc(C)c1Br
InChIInChI=1S/C15H15BrO/c1-11-8-14(9-12(2)15(11)16)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyLXPOYZVSGGMEMK-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dimethyl-5-phenylmethoxybenzene?
The IUPAC name of 2-bromo-1,3-dimethyl-5-phenylmethoxybenzene (CID 4270612) is 2-bromo-1,3-dimethyl-5-phenylmethoxybenzene.
What is the SMILES notation for 2-bromo-1,3-dimethyl-5-phenylmethoxybenzene?
The canonical SMILES for 2-bromo-1,3-dimethyl-5-phenylmethoxybenzene is Cc1cc(OCc2ccccc2)cc(C)c1Br.
What is the InChIKey of 2-bromo-1,3-dimethyl-5-phenylmethoxybenzene?
The InChIKey is LXPOYZVSGGMEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-11-8-14(9-12(2)15(11)16)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-1,3-dimethyl-5-phenylmethoxybenzene?
2-bromo-1,3-dimethyl-5-phenylmethoxybenzene has a molecular weight of 291.19 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dimethyl-5-phenylmethoxybenzene is sourced from PubChem (CID 4270612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).