1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene

C15H15BrO2 — CID 135036927

IUPAC1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C15H15BrO2/c1-17-14-8-5-12(15(10-14)18-2)9-11-3-6-13(16)7-4-11/h3-8,10H,9H2,1-2H3
InChIKeyPMNIISONUYBNJC-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.06
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene

1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene (PubChem CID 135036927) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene
PubChem CID135036927
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C15H15BrO2/c1-17-14-8-5-12(15(10-14)18-2)9-11-3-6-13(16)7-4-11/h3-8,10H,9H2,1-2H3
InChIKeyPMNIISONUYBNJC-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Osmorhizole
CID 3083821
7-[(4-Bromophenyl)methoxy]-4-methylchromen-2-one
CID 886539
7-[(4-bromophenyl)methoxy]-2H-chromen-2-one
CID 2629406
trans-2,4-Dimethoxystilbene
CID 10752544
Benzene, 2,4-dimethoxy-1-methyl-
CID 96403
4-Bromo-4'-methoxybiphenyl
CID 4034005
Benzene, 1,3,5-trimethoxy-2-(phenylmethyl)-
CID 89845
2,4-dimethoxy-1-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
CID 70688284
(Z) 4-Bromo-3',5'-trimethoxystilbene
CID 5388768
6E-2,4,4''''-Trimethoxystilbene
CID 16737013
2,4-Dimethoxy-1-(1-propenyl)benzene
CID 5314067
3-Bromo-4'-methoxybiphenyl
CID 2757035

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene (CID 135036927) is 1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene is COc1ccc(Cc2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene?
The InChIKey is PMNIISONUYBNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-17-14-8-5-12(15(10-14)18-2)9-11-3-6-13(16)7-4-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene?
1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene has a molecular weight of 307.19 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 135036927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).