2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne

C15H14 — CID 142342996

IUPAC2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne
SMILESCCc1ccccc1-c1ccc#cc1C
InChIInChI=1S/C15H14/c1-3-13-9-5-7-11-15(13)14-10-6-4-8-12(14)2/h5-7,9-11H,3H2,1-2H3
InChIKeySYQQXPNVKKGFHC-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.82
Rot. Bonds2

About 2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne

2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne (PubChem CID 142342996) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne.

Molecular Properties

Compound Name2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne
PubChem CID142342996
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Name2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne
SMILESCCc1ccccc1-c1ccc#cc1C
InChIInChI=1S/C15H14/c1-3-13-9-5-7-11-15(13)14-10-6-4-8-12(14)2/h5-7,9-11H,3H2,1-2H3
InChIKeySYQQXPNVKKGFHC-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
2,3-diethyl-4-(2-ethylphenyl)phenol
CID 101302433
1,2-diethylbenzene;hydrobromide
CID 174973685
[2,3-bis(2-ethylphenyl)phenyl]phosphane
CID 22146548
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
2,3-diethyl-5-(2-ethylphenyl)benzene-1,4-diol
CID 101302795
1-ethyl-2-(2-prop-1-enylphenyl)benzene
CID 91183008
4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran
CID 166900704
1-(2-ethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]benzene
CID 173216176
2,3-diethylbiphenylene
CID 134993289
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne?
The IUPAC name of 2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne (CID 142342996) is 2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne.
What is the SMILES notation for 2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne?
The canonical SMILES for 2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne is CCc1ccccc1-c1ccc#cc1C.
What is the InChIKey of 2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne?
The InChIKey is SYQQXPNVKKGFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14/c1-3-13-9-5-7-11-15(13)14-10-6-4-8-12(14)2/h5-7,9-11H,3H2,1-2H3.
What are the key properties of 2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne?
2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne has a molecular weight of 194.28 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne is sourced from PubChem (CID 142342996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).