1,1'-biphenyl;ethane;prop-1-ene

C17H22 — CID 156726173

IUPAC1,1'-biphenyl;ethane;prop-1-ene
SMILESC=CC.CC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H6.C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;1-2/h1-10H;3H,1H2,2H3;1-2H3
InChIKeyPAXFCWDNWLVRKU-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.57
Rot. Bonds1

About 1,1'-biphenyl;ethane;prop-1-ene

1,1'-biphenyl;ethane;prop-1-ene (PubChem CID 156726173) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,1'-biphenyl;ethane;prop-1-ene.

Molecular Properties

Compound Name1,1'-biphenyl;ethane;prop-1-ene
PubChem CID156726173
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1,1'-biphenyl;ethane;prop-1-ene
SMILESC=CC.CC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H6.C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;1-2/h1-10H;3H,1H2,2H3;1-2H3
InChIKeyPAXFCWDNWLVRKU-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzene;1,1'-biphenyl;(E)-but-2-ene;ethane
CID 161147131
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
benzene;1,1'-biphenyl;ethane
CID 158550617
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
buta-1,3-diene;ethane;1-methyl-4-phenylbenzene
CID 143599647
1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene
CID 145276340
benzene;1,1'-biphenyl;ethenamine
CID 174584589
1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene
CID 142561273
benzene;tris(1,1'-biphenyl)
CID 162155747
1-methyl-2-phenylbenzene;prop-1-ene
CID 144960650

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethane;prop-1-ene?
The IUPAC name of 1,1'-biphenyl;ethane;prop-1-ene (CID 156726173) is 1,1'-biphenyl;ethane;prop-1-ene.
What is the SMILES notation for 1,1'-biphenyl;ethane;prop-1-ene?
The canonical SMILES for 1,1'-biphenyl;ethane;prop-1-ene is C=CC.CC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;ethane;prop-1-ene?
The InChIKey is PAXFCWDNWLVRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C3H6.C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;1-2/h1-10H;3H,1H2,2H3;1-2H3.
What are the key properties of 1,1'-biphenyl;ethane;prop-1-ene?
1,1'-biphenyl;ethane;prop-1-ene has a molecular weight of 226.36 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethane;prop-1-ene is sourced from PubChem (CID 156726173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).