1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne

C14H10 — CID 143818345

IUPAC1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne
SMILESC=C(c1c#cccc1)c1ccccc1
InChIInChI=1S/C14H10/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-6,8-10H,1H2
InChIKeyPPBXSWLQPFXNHO-UHFFFAOYSA-N
MW178.23 g/mol
LogP3.35
Rot. Bonds2

About 1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne

1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne (PubChem CID 143818345) has the molecular formula C14H10 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne.

Molecular Properties

Compound Name1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne
PubChem CID143818345
Molecular FormulaC14H10
Molecular Weight178.23 g/mol
Exact Mass178.08
IUPAC Name1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne
SMILESC=C(c1c#cccc1)c1ccccc1
InChIInChI=1S/C14H10/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-6,8-10H,1H2
InChIKeyPPBXSWLQPFXNHO-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
phenol;1-phenylethenylbenzene
CID 174309625
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
1-phenylethenylbenzene;triazine
CID 122635968
dimethyl-bis(1-phenylethenyl)germane
CID 13022105
ethane;2-(1-phenylethenyl)-1H-pyrrole
CID 143466558
CID 174812823
CID 174812823
3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol
CID 68868044
ethoxyethane;1-phenylethenylbenzene
CID 69353422
S-(1-phenylethenyl)thiohydroxylamine
CID 152889911

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne?
The IUPAC name of 1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne (CID 143818345) is 1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne.
What is the SMILES notation for 1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne?
The canonical SMILES for 1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne is C=C(c1c#cccc1)c1ccccc1.
What is the InChIKey of 1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne?
The InChIKey is PPBXSWLQPFXNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-6,8-10H,1H2.
What are the key properties of 1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne?
1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne has a molecular weight of 178.23 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethenyl)cyclohexa-1,3-dien-5-yne is sourced from PubChem (CID 143818345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).