3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride

C16H11Cl3O2 — CID 131847801

IUPAC3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H11Cl3O2/c17-14-7-3-12(9-15(14)18)10-21-13-5-1-11(2-6-13)4-8-16(19)20/h1-9H,10H2
InChIKeyFXOFEKFNGXGADX-UHFFFAOYSA-N
MW341.62 g/mol
LogP5.35
Rot. Bonds5

About 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride

3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride (PubChem CID 131847801) has the molecular formula C16H11Cl3O2 and a molecular weight of 341.62 g/mol. Its IUPAC name is 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride.

Molecular Properties

Compound Name3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride
PubChem CID131847801
Molecular FormulaC16H11Cl3O2
Molecular Weight341.62 g/mol
Exact Mass339.98
IUPAC Name3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H11Cl3O2/c17-14-7-3-12(9-15(14)18)10-21-13-5-1-11(2-6-13)4-8-16(19)20/h1-9H,10H2
InChIKeyFXOFEKFNGXGADX-UHFFFAOYSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91684573
(E)-3-[3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91686134
3-[4-[(4-bromophenyl)methoxy]phenyl]-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide
CID 3696314
(3,4-dichlorophenyl)methyl (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate
CID 41218908
(E)-3-[4-[2-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenoxy]ethoxy]phenyl]prop-2-enoyl chloride
CID 102169357
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine
CID 169474704
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
methyl (E)-3-[3-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685556

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride?
The IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride (CID 131847801) is 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride.
What is the SMILES notation for 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride?
The canonical SMILES for 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride is O=C(Cl)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride?
The InChIKey is FXOFEKFNGXGADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3O2/c17-14-7-3-12(9-15(14)18)10-21-13-5-1-11(2-6-13)4-8-16(19)20/h1-9H,10H2.
What are the key properties of 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride?
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride has a molecular weight of 341.62 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride is sourced from PubChem (CID 131847801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).