(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone

C16H13BrCl2O2 — CID 104656991

IUPAC(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C16H13BrCl2O2/c1-2-7-21-15-6-3-10(8-13(15)17)16(20)12-9-11(18)4-5-14(12)19/h3-6,8-9H,2,7H2,1H3
InChIKeyQXSQDCGIAZJWEA-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.78
Rot. Bonds5

About (3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone

(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone (PubChem CID 104656991) has the molecular formula C16H13BrCl2O2 and a molecular weight of 388.09 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
PubChem CID104656991
Molecular FormulaC16H13BrCl2O2
Molecular Weight388.09 g/mol
Exact Mass385.95
IUPAC Name(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C16H13BrCl2O2/c1-2-7-21-15-6-3-10(8-13(15)17)16(20)12-9-11(18)4-5-14(12)19/h3-6,8-9H,2,7H2,1H3
InChIKeyQXSQDCGIAZJWEA-UHFFFAOYSA-N
XLogP5.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998416
(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone
CID 104656961
2-(3-bromo-4-propoxybenzoyl)oxy-5-chlorobenzoic acid
CID 54855208
(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657090
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 104657035
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone
CID 104656996
5-chloro-2-propoxybenzoyl chloride
CID 12863236
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone (CID 104656991) is (3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone is CCCOc1ccc(C(=O)c2cc(Cl)ccc2Cl)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is QXSQDCGIAZJWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2O2/c1-2-7-21-15-6-3-10(8-13(15)17)16(20)12-9-11(18)4-5-14(12)19/h3-6,8-9H,2,7H2,1H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone?
(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone has a molecular weight of 388.09 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 104656991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).