3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene

C15H16 — CID 162298020

IUPAC3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene
SMILESCC(=C1C=CC(C)C=C1)c1ccccc1
InChIInChI=1S/C15H16/c1-12-8-10-15(11-9-12)13(2)14-6-4-3-5-7-14/h3-12H,1-2H3/b15-13-
InChIKeyOMSKIWRROBMEOC-SQFISAMPSA-N
MW196.29 g/mol
LogP4.22
Rot. Bonds1

About 3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene

3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene (PubChem CID 162298020) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene.

Molecular Properties

Compound Name3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene
PubChem CID162298020
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene
SMILESCC(=C1C=CC(C)C=C1)c1ccccc1
InChIInChI=1S/C15H16/c1-12-8-10-15(11-9-12)13(2)14-6-4-3-5-7-14/h3-12H,1-2H3/b15-13-
InChIKeyOMSKIWRROBMEOC-SQFISAMPSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene
CID 139888689
1-phenylethaneselone
CID 21319756
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CID 90871438
(7Z,8E)-7,8-bis(1-phenylethylidene)bicyclo[4.2.0]oct-1(6)-ene
CID 177383575
3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane
CID 143087852
(1S,6S,7E)-7-(1-phenylethylidene)bicyclo[4.2.1]nona-2,4-diene
CID 102415982
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
iron;1-phenylethanone
CID 70488357
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
prop-1-en-2-ylbenzene;silane
CID 174724970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene?
The IUPAC name of 3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene (CID 162298020) is 3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene.
What is the SMILES notation for 3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene?
The canonical SMILES for 3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene is CC(=C1C=CC(C)C=C1)c1ccccc1.
What is the InChIKey of 3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene?
The InChIKey is OMSKIWRROBMEOC-SQFISAMPSA-N. The full InChI is InChI=1S/C15H16/c1-12-8-10-15(11-9-12)13(2)14-6-4-3-5-7-14/h3-12H,1-2H3/b15-13-.
What are the key properties of 3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene?
3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene has a molecular weight of 196.29 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene is sourced from PubChem (CID 162298020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).