1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene

C15H14BrClO — CID 58352129

IUPAC1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)c(OCc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C15H14BrClO/c1-10-7-11(2)15(13(16)8-10)18-9-12-5-3-4-6-14(12)17/h3-8H,9H2,1-2H3
InChIKeyBOAFQNREVBNNLS-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.30
Rot. Bonds3

About 1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene

1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene (PubChem CID 58352129) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene
PubChem CID58352129
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)c(OCc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C15H14BrClO/c1-10-7-11(2)15(13(16)8-10)18-9-12-5-3-4-6-14(12)17/h3-8H,9H2,1-2H3
InChIKeyBOAFQNREVBNNLS-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-[(2-chlorophenyl)methoxy]-5-methylbenzenethiol
CID 59243813
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741801
2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723647
3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 1276566
6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66528864
2-chloro-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 19168424
ethyl 3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682296
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126115738
3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzoic acid
CID 8707086
3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]benzohydrazide
CID 91685973
[2,6-bis[(2,4,6-trimethylphenoxy)methyl]phenyl]-dichloroarsane
CID 139156863

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene?
The IUPAC name of 1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene (CID 58352129) is 1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene?
The canonical SMILES for 1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene is Cc1cc(C)c(OCc2ccccc2Cl)c(Br)c1.
What is the InChIKey of 1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene?
The InChIKey is BOAFQNREVBNNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-10-7-11(2)15(13(16)8-10)18-9-12-5-3-4-6-14(12)17/h3-8H,9H2,1-2H3.
What are the key properties of 1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene?
1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene has a molecular weight of 325.63 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene is sourced from PubChem (CID 58352129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).