1,3-dimethyl-5-(2-phenylethenoxy)benzene

C16H16O — CID 71429052

IUPAC1,3-dimethyl-5-(2-phenylethenoxy)benzene
SMILESCc1cc(C)cc(OC=Cc2ccccc2)c1
InChIInChI=1S/C16H16O/c1-13-10-14(2)12-16(11-13)17-9-8-15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyGROPGYKABOOMGZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.35
Rot. Bonds3

About 1,3-dimethyl-5-(2-phenylethenoxy)benzene

1,3-dimethyl-5-(2-phenylethenoxy)benzene (PubChem CID 71429052) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-phenylethenoxy)benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-phenylethenoxy)benzene
PubChem CID71429052
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1,3-dimethyl-5-(2-phenylethenoxy)benzene
SMILESCc1cc(C)cc(OC=Cc2ccccc2)c1
InChIInChI=1S/C16H16O/c1-13-10-14(2)12-16(11-13)17-9-8-15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyGROPGYKABOOMGZ-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-phenoxyethenylbenzene;1,2-xylene
CID 174396691
1-chloro-4-[(E)-2-phenylethenoxy]benzene
CID 101411490
1-chloro-4-[(Z)-2-phenoxyethenyl]benzene
CID 135080417
[(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene
CID 13355038
benzaldehyde;oxophosphane;1,3,5-trimethylbenzene
CID 174455120
benzoic acid;1,3-dimethyl-5-(2-phenylethenyl)benzene
CID 174874153
(E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine
CID 6302344
2-phenylethenyl hypochlorite
CID 174846966
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
3-methoxy-5-[2-(3-methylphenoxy)ethenyl]phenol
CID 74338652
9-[3-methyl-5-[(Z)-2-phenylethenyl]phenyl]-10-[10-[3-methyl-5-[(Z)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracene
CID 163495616
[(E)-2-phenylethenyl] 4-methylbenzenesulfonate
CID 42643365

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-phenylethenoxy)benzene?
The IUPAC name of 1,3-dimethyl-5-(2-phenylethenoxy)benzene (CID 71429052) is 1,3-dimethyl-5-(2-phenylethenoxy)benzene.
What is the SMILES notation for 1,3-dimethyl-5-(2-phenylethenoxy)benzene?
The canonical SMILES for 1,3-dimethyl-5-(2-phenylethenoxy)benzene is Cc1cc(C)cc(OC=Cc2ccccc2)c1.
What is the InChIKey of 1,3-dimethyl-5-(2-phenylethenoxy)benzene?
The InChIKey is GROPGYKABOOMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-13-10-14(2)12-16(11-13)17-9-8-15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2-phenylethenoxy)benzene?
1,3-dimethyl-5-(2-phenylethenoxy)benzene has a molecular weight of 224.30 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-phenylethenoxy)benzene is sourced from PubChem (CID 71429052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).