1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene

C16H17BrO2 — CID 10495980

IUPAC1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene
SMILESCOc1cc(Br)c(Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C16H17BrO2/c1-11-4-6-12(7-5-11)8-13-9-15(18-2)16(19-3)10-14(13)17/h4-7,9-10H,8H2,1-3H3
InChIKeyHXHWIDITSFTKRN-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.37
Rot. Bonds4

About 1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene

1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene (PubChem CID 10495980) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene
PubChem CID10495980
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene
SMILESCOc1cc(Br)c(Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C16H17BrO2/c1-11-4-6-12(7-5-11)8-13-9-15(18-2)16(19-3)10-14(13)17/h4-7,9-10H,8H2,1-3H3
InChIKeyHXHWIDITSFTKRN-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-bromo-2,5-dimethoxybenzene
CID 90014270
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66535129
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 1406214
4-bromo-5-[[2-[(4-hydroxyphenyl)methyl]phenyl]methyl]-2-methoxyphenol
CID 16638007
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 66544478
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]prop-2-en-1-amine
CID 66534484
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,2,4-triazol-4-amine
CID 66544594
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 1043063
N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide
CID 9366282
2-bromo-1-methoxy-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 60672064
1-bromo-4-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzene
CID 105057370
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2,5-dichloroaniline
CID 66544716

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene (CID 10495980) is 1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene is COc1cc(Br)c(Cc2ccc(C)cc2)cc1OC.
What is the InChIKey of 1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene?
The InChIKey is HXHWIDITSFTKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11-4-6-12(7-5-11)8-13-9-15(18-2)16(19-3)10-14(13)17/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene?
1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene has a molecular weight of 321.21 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 10495980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).