1-methyl-2-phenylbenzene;prop-1-ene

C16H18 — CID 144960650

IUPAC1-methyl-2-phenylbenzene;prop-1-ene
SMILESC=CC.Cc1ccccc1-c1ccccc1
InChIInChI=1S/C13H12.C3H6/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-3-2/h2-10H,1H3;3H,1H2,2H3
InChIKeyZFQKQZRKUBMMTM-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.85
Rot. Bonds1

About 1-methyl-2-phenylbenzene;prop-1-ene

1-methyl-2-phenylbenzene;prop-1-ene (PubChem CID 144960650) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methyl-2-phenylbenzene;prop-1-ene.

Molecular Properties

Compound Name1-methyl-2-phenylbenzene;prop-1-ene
PubChem CID144960650
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1-methyl-2-phenylbenzene;prop-1-ene
SMILESC=CC.Cc1ccccc1-c1ccccc1
InChIInChI=1S/C13H12.C3H6/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-3-2/h2-10H,1H3;3H,1H2,2H3
InChIKeyZFQKQZRKUBMMTM-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.85
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

1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-methyl-2-phenylbenzene;sulfane;trifluoroborane
CID 175768148
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene
CID 141155122
1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 59774135

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylbenzene;prop-1-ene?
The IUPAC name of 1-methyl-2-phenylbenzene;prop-1-ene (CID 144960650) is 1-methyl-2-phenylbenzene;prop-1-ene.
What is the SMILES notation for 1-methyl-2-phenylbenzene;prop-1-ene?
The canonical SMILES for 1-methyl-2-phenylbenzene;prop-1-ene is C=CC.Cc1ccccc1-c1ccccc1.
What is the InChIKey of 1-methyl-2-phenylbenzene;prop-1-ene?
The InChIKey is ZFQKQZRKUBMMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C3H6/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-3-2/h2-10H,1H3;3H,1H2,2H3.
What are the key properties of 1-methyl-2-phenylbenzene;prop-1-ene?
1-methyl-2-phenylbenzene;prop-1-ene has a molecular weight of 210.32 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylbenzene;prop-1-ene is sourced from PubChem (CID 144960650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).