(Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one

C16H12Cl2O — CID 54602092

IUPAC(Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H12Cl2O/c1-11-2-6-13(7-3-11)16(19)9-5-12-4-8-14(17)15(18)10-12/h2-10H,1H3/b9-5-
InChIKeyUPSMETLAEOAZHC-UITAMQMPSA-N
MW291.18 g/mol
LogP5.20
Rot. Bonds3

About (Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one

(Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one (PubChem CID 54602092) has the molecular formula C16H12Cl2O and a molecular weight of 291.18 g/mol. Its IUPAC name is (Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
PubChem CID54602092
Molecular FormulaC16H12Cl2O
Molecular Weight291.18 g/mol
Exact Mass290.03
IUPAC Name(Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H12Cl2O/c1-11-2-6-13(7-3-11)16(19)9-5-12-4-8-14(17)15(18)10-12/h2-10H,1H3/b9-5-
InChIKeyUPSMETLAEOAZHC-UITAMQMPSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-aminophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one
CID 12051019
(E)-3-(3,5-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 138963100
(E)-3-(3,4-dichlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 6297637
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
methyl 2-[4-[3-(3,4-dichlorophenyl)prop-2-enoyl]phenoxy]acetate
CID 76877685
(E)-1,3-bis(4-methylphenyl)prop-2-en-1-one;diiodovanadium
CID 161393105
1-(4-methylphenyl)-3-(2,3,5-trichlorophenyl)prop-2-en-1-one
CID 91586373
3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 3733090
(E)-3-(4-methoxy-3-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 24582564
(E)-3-(6-methoxynaphthalen-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 7946120
1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 175426620
bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)
CID 159108688

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one (CID 54602092) is (Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is UPSMETLAEOAZHC-UITAMQMPSA-N. The full InChI is InChI=1S/C16H12Cl2O/c1-11-2-6-13(7-3-11)16(19)9-5-12-4-8-14(17)15(18)10-12/h2-10H,1H3/b9-5-.
What are the key properties of (Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one?
(Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 291.18 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 54602092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).