1-phenylethenylbenzene;hydrochloride

C14H13Cl — CID 70400725

IUPAC1-phenylethenylbenzene;hydrochloride
SMILESC=C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C14H12.ClH/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11H,1H2;1H
InChIKeyKPPZLPFWQIPIAB-UHFFFAOYSA-N
MW216.71 g/mol
LogP4.17
Rot. Bonds2

About 1-phenylethenylbenzene;hydrochloride

1-phenylethenylbenzene;hydrochloride (PubChem CID 70400725) has the molecular formula C14H13Cl and a molecular weight of 216.71 g/mol. Its IUPAC name is 1-phenylethenylbenzene;hydrochloride.

Molecular Properties

Compound Name1-phenylethenylbenzene;hydrochloride
PubChem CID70400725
Molecular FormulaC14H13Cl
Molecular Weight216.71 g/mol
Exact Mass216.07
IUPAC Name1-phenylethenylbenzene;hydrochloride
SMILESC=C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C14H12.ClH/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11H,1H2;1H
InChIKeyKPPZLPFWQIPIAB-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

potassium 1-phenylethenylbenzene
CID 19358731
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
phenol;1-phenylethenylbenzene
CID 174309625
1-phenylethenylbenzene;triazine
CID 122635968
ethoxyethane;1-phenylethenylbenzene
CID 69353422
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
1-(chloromethyl)-4-(1-phenylethenyl)benzene
CID 68708989
4-(1-phenylethenyl)benzonitrile
CID 11977035
chloro-[4-(1-phenylethenyl)phenyl]phosphane
CID 167036025
2,6-dichloro-4-(1-phenylethenyl)pyridine
CID 146175460
1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine
CID 67437631
ethane;4-(1-phenylethenyl)benzene-1,2-diamine
CID 54049505

Frequently Asked Questions

What is the IUPAC name of 1-phenylethenylbenzene;hydrochloride?
The IUPAC name of 1-phenylethenylbenzene;hydrochloride (CID 70400725) is 1-phenylethenylbenzene;hydrochloride.
What is the SMILES notation for 1-phenylethenylbenzene;hydrochloride?
The canonical SMILES for 1-phenylethenylbenzene;hydrochloride is C=C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 1-phenylethenylbenzene;hydrochloride?
The InChIKey is KPPZLPFWQIPIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.ClH/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11H,1H2;1H.
What are the key properties of 1-phenylethenylbenzene;hydrochloride?
1-phenylethenylbenzene;hydrochloride has a molecular weight of 216.71 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethenylbenzene;hydrochloride is sourced from PubChem (CID 70400725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).