(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene

C19H18 — CID 618811

IUPAC(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
SMILESCC(C=Cc1ccccc1)=CC=Cc1ccccc1
InChIInChI=1S/C19H18/c1-17(15-16-19-12-6-3-7-13-19)9-8-14-18-10-4-2-5-11-18/h2-16H,1H3
InChIKeyOLHACTBVVHIAAA-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.36
Rot. Bonds4

About (3-methyl-6-phenylhexa-1,3,5-trienyl)benzene

(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene (PubChem CID 618811) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is (3-methyl-6-phenylhexa-1,3,5-trienyl)benzene.

Molecular Properties

Compound Name(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
PubChem CID618811
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
SMILESCC(C=Cc1ccccc1)=CC=Cc1ccccc1
InChIInChI=1S/C19H18/c1-17(15-16-19-12-6-3-7-13-19)9-8-14-18-10-4-2-5-11-18/h2-16H,1H3
InChIKeyOLHACTBVVHIAAA-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
4-methylpenta-1,3-dienylbenzene
CID 3614395
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline
CID 143914074
6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one
CID 163063060
(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine
CID 166740915
(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol
CID 76584556
(5-chloro-4-methylpenta-1,3-dienyl)benzene
CID 79323612
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602

Frequently Asked Questions

What is the IUPAC name of (3-methyl-6-phenylhexa-1,3,5-trienyl)benzene?
The IUPAC name of (3-methyl-6-phenylhexa-1,3,5-trienyl)benzene (CID 618811) is (3-methyl-6-phenylhexa-1,3,5-trienyl)benzene.
What is the SMILES notation for (3-methyl-6-phenylhexa-1,3,5-trienyl)benzene?
The canonical SMILES for (3-methyl-6-phenylhexa-1,3,5-trienyl)benzene is CC(C=Cc1ccccc1)=CC=Cc1ccccc1.
What is the InChIKey of (3-methyl-6-phenylhexa-1,3,5-trienyl)benzene?
The InChIKey is OLHACTBVVHIAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-17(15-16-19-12-6-3-7-13-19)9-8-14-18-10-4-2-5-11-18/h2-16H,1H3.
What are the key properties of (3-methyl-6-phenylhexa-1,3,5-trienyl)benzene?
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene has a molecular weight of 246.35 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6-phenylhexa-1,3,5-trienyl)benzene is sourced from PubChem (CID 618811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).