(5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone

C17H16BrClO4 — CID 89283810

IUPAC(5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(Br)c(OC)c(OC)c2Cl)cc1
InChIInChI=1S/C17H16BrClO4/c1-4-23-11-7-5-10(6-8-11)15(20)12-9-13(18)16(21-2)17(22-3)14(12)19/h5-9H,4H2,1-3H3
InChIKeyVOPWCFWMKBJHTP-UHFFFAOYSA-N
MW399.67 g/mol
LogP4.75
Rot. Bonds6

About (5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone

(5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone (PubChem CID 89283810) has the molecular formula C17H16BrClO4 and a molecular weight of 399.67 g/mol. Its IUPAC name is (5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
PubChem CID89283810
Molecular FormulaC17H16BrClO4
Molecular Weight399.67 g/mol
Exact Mass397.99
IUPAC Name(5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(Br)c(OC)c(OC)c2Cl)cc1
InChIInChI=1S/C17H16BrClO4/c1-4-23-11-7-5-10(6-8-11)15(20)12-9-13(18)16(21-2)17(22-3)14(12)19/h5-9H,4H2,1-3H3
InChIKeyVOPWCFWMKBJHTP-UHFFFAOYSA-N
XLogP4.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.67
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
methyl 2-bromo-4-(4-ethoxybenzoyl)benzoate
CID 89453280
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
CID 116609755
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819681
(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107949965
methyl 2-bromo-5-chloro-4-[(4-ethoxyphenyl)methyl]benzoate
CID 89453336

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone (CID 89283810) is (5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cc(Br)c(OC)c(OC)c2Cl)cc1.
What is the InChIKey of (5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone?
The InChIKey is VOPWCFWMKBJHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO4/c1-4-23-11-7-5-10(6-8-11)15(20)12-9-13(18)16(21-2)17(22-3)14(12)19/h5-9H,4H2,1-3H3.
What are the key properties of (5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone?
(5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone has a molecular weight of 399.67 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 89283810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).