1-bromo-2-methoxy-4-(3-methylphenyl)benzene

C14H13BrO — CID 164895138

IUPAC1-bromo-2-methoxy-4-(3-methylphenyl)benzene
SMILESCOc1cc(-c2cccc(C)c2)ccc1Br
InChIInChI=1S/C14H13BrO/c1-10-4-3-5-11(8-10)12-6-7-13(15)14(9-12)16-2/h3-9H,1-2H3
InChIKeyKCNOKURWAZRPEZ-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.43
Rot. Bonds2

About 1-bromo-2-methoxy-4-(3-methylphenyl)benzene

1-bromo-2-methoxy-4-(3-methylphenyl)benzene (PubChem CID 164895138) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-bromo-2-methoxy-4-(3-methylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-2-methoxy-4-(3-methylphenyl)benzene
PubChem CID164895138
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-bromo-2-methoxy-4-(3-methylphenyl)benzene
SMILESCOc1cc(-c2cccc(C)c2)ccc1Br
InChIInChI=1S/C14H13BrO/c1-10-4-3-5-11(8-10)12-6-7-13(15)14(9-12)16-2/h3-9H,1-2H3
InChIKeyKCNOKURWAZRPEZ-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

1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene
CID 69450374
formaldehyde;bis(1-methoxy-2-methyl-4-(3-methylphenyl)benzene)
CID 175275695
4-(3-bromophenyl)-1,2-dimethoxybenzene
CID 83666367
[2-bromo-5-(3-methylphenyl)phenyl]methanamine
CID 115051058
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene
CID 118507663
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
2-bromo-1,3-bis(3-methylphenyl)benzene
CID 3691341

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxy-4-(3-methylphenyl)benzene?
The IUPAC name of 1-bromo-2-methoxy-4-(3-methylphenyl)benzene (CID 164895138) is 1-bromo-2-methoxy-4-(3-methylphenyl)benzene.
What is the SMILES notation for 1-bromo-2-methoxy-4-(3-methylphenyl)benzene?
The canonical SMILES for 1-bromo-2-methoxy-4-(3-methylphenyl)benzene is COc1cc(-c2cccc(C)c2)ccc1Br.
What is the InChIKey of 1-bromo-2-methoxy-4-(3-methylphenyl)benzene?
The InChIKey is KCNOKURWAZRPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-10-4-3-5-11(8-10)12-6-7-13(15)14(9-12)16-2/h3-9H,1-2H3.
What are the key properties of 1-bromo-2-methoxy-4-(3-methylphenyl)benzene?
1-bromo-2-methoxy-4-(3-methylphenyl)benzene 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-bromo-2-methoxy-4-(3-methylphenyl)benzene is sourced from PubChem (CID 164895138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).