1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene

C14H12BrClO2 — CID 171383285

IUPAC1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene
SMILESCOCOc1cc(-c2ccccc2Cl)ccc1Br
InChIInChI=1S/C14H12BrClO2/c1-17-9-18-14-8-10(6-7-12(14)15)11-4-2-3-5-13(11)16/h2-8H,9H2,1H3
InChIKeyWVMCYGPYLWRELM-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.75
Rot. Bonds4

About 1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene

1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene (PubChem CID 171383285) has the molecular formula C14H12BrClO2 and a molecular weight of 327.61 g/mol. Its IUPAC name is 1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene
PubChem CID171383285
Molecular FormulaC14H12BrClO2
Molecular Weight327.61 g/mol
Exact Mass325.97
IUPAC Name1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene
SMILESCOCOc1cc(-c2ccccc2Cl)ccc1Br
InChIInChI=1S/C14H12BrClO2/c1-17-9-18-14-8-10(6-7-12(14)15)11-4-2-3-5-13(11)16/h2-8H,9H2,1H3
InChIKeyWVMCYGPYLWRELM-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene
CID 171383282
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
2-bromo-1-chloro-3-(methoxymethoxy)benzene
CID 164894389
2-bromo-5-(2-chlorophenyl)phenol
CID 171383319
5-[4-bromo-3-(methoxymethoxy)phenyl]-3-methylpyridazine
CID 167504004
4-bromo-3-(methoxymethoxy)benzoic acid
CID 69238735
2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 54565431
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole
CID 68946720
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
CID 166398717

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene?
The IUPAC name of 1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene (CID 171383285) is 1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene.
What is the SMILES notation for 1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene?
The canonical SMILES for 1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene is COCOc1cc(-c2ccccc2Cl)ccc1Br.
What is the InChIKey of 1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene?
The InChIKey is WVMCYGPYLWRELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2/c1-17-9-18-14-8-10(6-7-12(14)15)11-4-2-3-5-13(11)16/h2-8H,9H2,1H3.
What are the key properties of 1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene?
1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene has a molecular weight of 327.61 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene is sourced from PubChem (CID 171383285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).