1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene

C19H24 — CID 143923034

IUPAC1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
SMILESC=C(C)c1ccc(C)cc1.Cc1ccc(C)c(C)c1
InChIInChI=1S/C10H12.C9H12/c1-8(2)10-6-4-9(3)5-7-10;1-7-4-5-8(2)9(3)6-7/h4-7H,1H2,2-3H3;4-6H,1-3H3
InChIKeyKQPGKZFUKKKDNS-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.64
Rot. Bonds1

About 1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene

1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene (PubChem CID 143923034) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene.

Molecular Properties

Compound Name1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
PubChem CID143923034
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
SMILESC=C(C)c1ccc(C)cc1.Cc1ccc(C)c(C)c1
InChIInChI=1S/C10H12.C9H12/c1-8(2)10-6-4-9(3)5-7-10;1-7-4-5-8(2)9(3)6-7/h4-7H,1H2,2-3H3;4-6H,1-3H3
InChIKeyKQPGKZFUKKKDNS-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1,2,4-trimethylbenzene
CID 7247
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
CID 91125880
CID 91125880
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
formonitrile;1,2,4-trimethylbenzene
CID 90728107
ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
CID 144914268

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene?
The IUPAC name of 1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene (CID 143923034) is 1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene.
What is the SMILES notation for 1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene?
The canonical SMILES for 1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene is C=C(C)c1ccc(C)cc1.Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene?
The InChIKey is KQPGKZFUKKKDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H12/c1-8(2)10-6-4-9(3)5-7-10;1-7-4-5-8(2)9(3)6-7/h4-7H,1H2,2-3H3;4-6H,1-3H3.
What are the key properties of 1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene?
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene has a molecular weight of 252.40 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene is sourced from PubChem (CID 143923034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).