3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride

C14H8Br2Cl2O2 — CID 91685943

IUPAC3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C14H8Br2Cl2O2/c15-10-3-1-8(2-4-10)7-20-13-11(16)5-9(14(18)19)6-12(13)17/h1-6H,7H2
InChIKeyVLLNQFURQRWNNH-UHFFFAOYSA-N
MW438.93 g/mol
LogP5.82
Rot. Bonds4

About 3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride

3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride (PubChem CID 91685943) has the molecular formula C14H8Br2Cl2O2 and a molecular weight of 438.93 g/mol. Its IUPAC name is 3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride.

Molecular Properties

Compound Name3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride
PubChem CID91685943
Molecular FormulaC14H8Br2Cl2O2
Molecular Weight438.93 g/mol
Exact Mass435.83
IUPAC Name3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C14H8Br2Cl2O2/c15-10-3-1-8(2-4-10)7-20-13-11(16)5-9(14(18)19)6-12(13)17/h1-6H,7H2
InChIKeyVLLNQFURQRWNNH-UHFFFAOYSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.93
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 91685911
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91686017
(E)-3-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]prop-2-enoic acid
CID 91686076
methyl 3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxybenzoate
CID 91679930
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706
3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride
CID 91682346
3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
CID 91682357
5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride
CID 10816271
3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107881642
prop-2-ynyl 3-bromo-5-chloro-4-[(4-nitrophenyl)methoxy]benzoate
CID 91686011
4-[(2-bromo-4,6-dichlorophenoxy)methyl]aniline
CID 22688171

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride?
The IUPAC name of 3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride (CID 91685943) is 3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride.
What is the SMILES notation for 3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride?
The canonical SMILES for 3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride is O=C(Cl)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride?
The InChIKey is VLLNQFURQRWNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2Cl2O2/c15-10-3-1-8(2-4-10)7-20-13-11(16)5-9(14(18)19)6-12(13)17/h1-6H,7H2.
What are the key properties of 3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride?
3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride has a molecular weight of 438.93 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride is sourced from PubChem (CID 91685943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).