1-ethenyl-3-methylbenzene;prop-1-enylbenzene

C18H20 — CID 162018200

IUPAC1-ethenyl-3-methylbenzene;prop-1-enylbenzene
SMILESC=Cc1cccc(C)c1.CC=Cc1ccccc1
InChIInChI=1S/2C9H10/c1-3-9-6-4-5-8(2)7-9;1-2-6-9-7-4-3-5-8-9/h3-7H,1H2,2H3;2-8H,1H3
InChIKeyYUJZVSKGCGTDLL-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.36
Rot. Bonds2

About 1-ethenyl-3-methylbenzene;prop-1-enylbenzene

1-ethenyl-3-methylbenzene;prop-1-enylbenzene (PubChem CID 162018200) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-ethenyl-3-methylbenzene;prop-1-enylbenzene.

Molecular Properties

Compound Name1-ethenyl-3-methylbenzene;prop-1-enylbenzene
PubChem CID162018200
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-ethenyl-3-methylbenzene;prop-1-enylbenzene
SMILESC=Cc1cccc(C)c1.CC=Cc1ccccc1
InChIInChI=1S/2C9H10/c1-3-9-6-4-5-8(2)7-9;1-2-6-9-7-4-3-5-8-9/h3-7H,1H2,2H3;2-8H,1H3
InChIKeyYUJZVSKGCGTDLL-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethenyl-3-methylbenzene
CID 7529
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
1-ethenyl-3-methylbenzene;sulfur dioxide
CID 157220077
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117
styrene;1,2-xylene;1,3-xylene;1,4-xylene
CID 160527972
1-chloro-4-ethenylbenzene;1-ethenyl-3-methylbenzene
CID 158114303
3-methylaniline;styrene
CID 174647241
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
ethane;(2E,4E)-4-ethenylhepta-2,4,6-trienal;3-methylbenzaldehyde;[(E)-prop-1-enyl]benzene
CID 143010091
N,4-dimethylaniline;1-ethenyl-3-methylbenzene
CID 142013646

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methylbenzene;prop-1-enylbenzene?
The IUPAC name of 1-ethenyl-3-methylbenzene;prop-1-enylbenzene (CID 162018200) is 1-ethenyl-3-methylbenzene;prop-1-enylbenzene.
What is the SMILES notation for 1-ethenyl-3-methylbenzene;prop-1-enylbenzene?
The canonical SMILES for 1-ethenyl-3-methylbenzene;prop-1-enylbenzene is C=Cc1cccc(C)c1.CC=Cc1ccccc1.
What is the InChIKey of 1-ethenyl-3-methylbenzene;prop-1-enylbenzene?
The InChIKey is YUJZVSKGCGTDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10/c1-3-9-6-4-5-8(2)7-9;1-2-6-9-7-4-3-5-8-9/h3-7H,1H2,2H3;2-8H,1H3.
What are the key properties of 1-ethenyl-3-methylbenzene;prop-1-enylbenzene?
1-ethenyl-3-methylbenzene;prop-1-enylbenzene has a molecular weight of 236.36 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methylbenzene;prop-1-enylbenzene is sourced from PubChem (CID 162018200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).