1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene

C19H20 — CID 144558662

IUPAC1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene
SMILESC=C(c1ccccc1)c1ccc(C)c(C(=C)C)c1C
InChIInChI=1S/C19H20/c1-13(2)19-14(3)11-12-18(16(19)5)15(4)17-9-7-6-8-10-17/h6-12H,1,4H2,2-3,5H3
InChIKeyCAUDITIWBROCLY-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.40
Rot. Bonds3

About 1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene

1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene (PubChem CID 144558662) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene
PubChem CID144558662
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene
SMILESC=C(c1ccccc1)c1ccc(C)c(C(=C)C)c1C
InChIInChI=1S/C19H20/c1-13(2)19-14(3)11-12-18(16(19)5)15(4)17-9-7-6-8-10-17/h6-12H,1,4H2,2-3,5H3
InChIKeyCAUDITIWBROCLY-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-tetramethyl-5-(1-phenylethenyl)benzene
CID 4285324
1,3-dimethyl-4-(1-phenylethenyl)-2-propylbenzene;prop-1-yne
CID 144558671
4-methyl-3-(1-phenylethenyl)pyridine
CID 142303241
2-methyl-1-prop-1-en-2-ylnaphthalene
CID 123573503
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
prop-1-en-2-ylbenzene;silane
CID 174724970
1,2,3,4-tetrakis(prop-1-en-2-yl)benzene
CID 19429816
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene
CID 163606470
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene (CID 144558662) is 1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene is C=C(c1ccccc1)c1ccc(C)c(C(=C)C)c1C.
What is the InChIKey of 1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene?
The InChIKey is CAUDITIWBROCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-13(2)19-14(3)11-12-18(16(19)5)15(4)17-9-7-6-8-10-17/h6-12H,1,4H2,2-3,5H3.
What are the key properties of 1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene?
1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene has a molecular weight of 248.37 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 144558662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).