2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene

C13H18 — CID 143363973

IUPAC2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)c(CC)c1C
InChIInChI=1S/C13H18/c1-6-12-10(4)7-8-13(9(2)3)11(12)5/h7-8H,2,6H2,1,3-5H3
InChIKeyJRMUPLQCBKBFSJ-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.90
Rot. Bonds2

About 2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene

2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene (PubChem CID 143363973) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene
PubChem CID143363973
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)c(CC)c1C
InChIInChI=1S/C13H18/c1-6-12-10(4)7-8-13(9(2)3)11(12)5/h7-8H,2,6H2,1,3-5H3
InChIKeyJRMUPLQCBKBFSJ-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-2,4-dimethylbenzoic acid
CID 70082464
1,5-diethyl-2,6-bis(prop-1-en-2-yl)naphthalene
CID 159162513
2-(2-ethyl-6-methyl-3-prop-1-en-2-ylphenyl)-3-fluoro-1-methyl-4-prop-1-en-2-ylbenzene
CID 144788966
3-ethyl-2,4-dimethylaniline
CID 20714339
2-ethyl-3,4-dimethylbenzoic acid
CID 58433951
1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene
CID 174185530
2-bromo-3-ethyl-4-methylbenzoic acid
CID 123294230
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
1,2,3,4-tetrakis(prop-1-en-2-yl)benzene
CID 19429816
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
2-chloro-3-methyl-4-prop-1-en-2-ylaniline
CID 142115554
1,2,3-trimethyl-4-[(3E)-4-methylhexa-1,3-dien-2-yl]benzene
CID 178078822

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene (CID 143363973) is 2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C)c(CC)c1C.
What is the InChIKey of 2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene?
The InChIKey is JRMUPLQCBKBFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-6-12-10(4)7-8-13(9(2)3)11(12)5/h7-8H,2,6H2,1,3-5H3.
What are the key properties of 2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene?
2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 143363973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).