1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene

C31H34O — CID 143885745

IUPAC1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene
SMILESC=C(CCC(=O)c1ccc(C(=C)C)c(C(=C)C)c1)c1ccccc1.Cc1cccc(C)c1
InChIInChI=1S/C23H24O.C8H10/c1-16(2)21-13-12-20(15-22(21)17(3)4)23(24)14-11-18(5)19-9-7-6-8-10-19;1-7-4-3-5-8(2)6-7/h6-10,12-13,15H,1,3,5,11,14H2,2,4H3;3-6H,1-2H3
InChIKeyABBZOTIPCCXHCP-UHFFFAOYSA-N
MW422.61 g/mol
LogP8.73
Rot. Bonds7

About 1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene

1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene (PubChem CID 143885745) has the molecular formula C31H34O and a molecular weight of 422.61 g/mol. Its IUPAC name is 1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene.

Molecular Properties

Compound Name1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene
PubChem CID143885745
Molecular FormulaC31H34O
Molecular Weight422.61 g/mol
Exact Mass422.26
IUPAC Name1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene
SMILESC=C(CCC(=O)c1ccc(C(=C)C)c(C(=C)C)c1)c1ccccc1.Cc1cccc(C)c1
InChIInChI=1S/C23H24O.C8H10/c1-16(2)21-13-12-20(15-22(21)17(3)4)23(24)14-11-18(5)19-9-7-6-8-10-19;1-7-4-3-5-8(2)6-7/h6-10,12-13,15H,1,3,5,11,14H2,2,4H3;3-6H,1-2H3
InChIKeyABBZOTIPCCXHCP-UHFFFAOYSA-N
XLogP8.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene with MolForge

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Related Compounds

4-methyl-1-(3-methylphenyl)pent-4-en-1-one
CID 114473491
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CID 4304992
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
1-(3-methylphenyl)-3-sulfanylpropan-1-one
CID 116830819
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966
1,2-bis(prop-1-en-2-yl)benzene;toluene
CID 173384676
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
1-(3-methylphenyl)-3-phenoxypropan-1-one
CID 60798241
(E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol
CID 143103335
N-(5-methyl-2-prop-1-en-2-ylphenyl)benzamide
CID 154709927
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene?
The IUPAC name of 1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene (CID 143885745) is 1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene.
What is the SMILES notation for 1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene?
The canonical SMILES for 1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene is C=C(CCC(=O)c1ccc(C(=C)C)c(C(=C)C)c1)c1ccccc1.Cc1cccc(C)c1.
What is the InChIKey of 1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene?
The InChIKey is ABBZOTIPCCXHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O.C8H10/c1-16(2)21-13-12-20(15-22(21)17(3)4)23(24)14-11-18(5)19-9-7-6-8-10-19;1-7-4-3-5-8(2)6-7/h6-10,12-13,15H,1,3,5,11,14H2,2,4H3;3-6H,1-2H3.
What are the key properties of 1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene?
1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene has a molecular weight of 422.61 g/mol, XLogP of 8.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene is sourced from PubChem (CID 143885745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).