1-(2-bromophenyl)-2-methoxy-4-methylbenzene

C14H13BrO — CID 171366737

IUPAC1-(2-bromophenyl)-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1-c1ccccc1Br
InChIInChI=1S/C14H13BrO/c1-10-7-8-12(14(9-10)16-2)11-5-3-4-6-13(11)15/h3-9H,1-2H3
InChIKeyDAPUTUVMQWIHFN-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.43
Rot. Bonds2

About 1-(2-bromophenyl)-2-methoxy-4-methylbenzene

1-(2-bromophenyl)-2-methoxy-4-methylbenzene (PubChem CID 171366737) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-methoxy-4-methylbenzene
PubChem CID171366737
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-(2-bromophenyl)-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1-c1ccccc1Br
InChIInChI=1S/C14H13BrO/c1-10-7-8-12(14(9-10)16-2)11-5-3-4-6-13(11)15/h3-9H,1-2H3
InChIKeyDAPUTUVMQWIHFN-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methoxy-4-methylphenyl)benzonitrile
CID 19389898
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
2-(2-bromophenyl)-1-fluoro-4-methylbenzene
CID 90775083
2-(2-bromophenyl)-5-methylbenzoic acid
CID 115503534
1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene
CID 20766185
1,3-bis(2-bromophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 101257502
2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline
CID 139429569
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
1-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methoxy-4-methylbenzene
CID 2283053
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
8-bromo-4-(2-methoxy-4-methylphenyl)-2H-phthalazin-1-one
CID 166151458
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
CID 106793083

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-methoxy-4-methylbenzene?
The IUPAC name of 1-(2-bromophenyl)-2-methoxy-4-methylbenzene (CID 171366737) is 1-(2-bromophenyl)-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-(2-bromophenyl)-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-(2-bromophenyl)-2-methoxy-4-methylbenzene is COc1cc(C)ccc1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-methoxy-4-methylbenzene?
The InChIKey is DAPUTUVMQWIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-10-7-8-12(14(9-10)16-2)11-5-3-4-6-13(11)15/h3-9H,1-2H3.
What are the key properties of 1-(2-bromophenyl)-2-methoxy-4-methylbenzene?
1-(2-bromophenyl)-2-methoxy-4-methylbenzene has a molecular weight of 277.16 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-methoxy-4-methylbenzene is sourced from PubChem (CID 171366737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).