(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

C24H22O2 — CID 7973152

IUPAC(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C24H22O2/c1-18-8-14-23(19(2)16-18)24(25)15-11-20-9-12-22(13-10-20)26-17-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3/b15-11+
InChIKeyKMMWSTUGBHCMKO-RVDMUPIBSA-N
MW342.44 g/mol
LogP5.78
Rot. Bonds6

About (E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 7973152) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID7973152
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C24H22O2/c1-18-8-14-23(19(2)16-18)24(25)15-11-20-9-12-22(13-10-20)26-17-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3/b15-11+
InChIKeyKMMWSTUGBHCMKO-RVDMUPIBSA-N
XLogP5.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[4-[(E)-3-(2,4-dimethylphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 7973174
(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 92908631
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19540627
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
1-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-hydroxyphenyl]-3-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]prop-2-en-1-one
CID 168806042
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175339
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 22831284
1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 53405756
(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867674
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one (CID 7973152) is (E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(C)c1.
What is the InChIKey of (E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is KMMWSTUGBHCMKO-RVDMUPIBSA-N. The full InChI is InChI=1S/C24H22O2/c1-18-8-14-23(19(2)16-18)24(25)15-11-20-9-12-22(13-10-20)26-17-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3/b15-11+.
What are the key properties of (E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 342.44 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 7973152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).