1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene

C19H18 — CID 144787270

IUPAC1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
SMILESCc1c(C2=CCCC=C2)cccc1-c1ccccc1
InChIInChI=1S/C19H18/c1-15-18(16-9-4-2-5-10-16)13-8-14-19(15)17-11-6-3-7-12-17/h2,4-6,8-14H,3,7H2,1H3
InChIKeyRNQGXWLSOGNOIW-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.40
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene

1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene (PubChem CID 144787270) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
PubChem CID144787270
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
SMILESCc1c(C2=CCCC=C2)cccc1-c1ccccc1
InChIInChI=1S/C19H18/c1-15-18(16-9-4-2-5-10-16)13-8-14-19(15)17-11-6-3-7-12-17/h2,4-6,8-14H,3,7H2,1H3
InChIKeyRNQGXWLSOGNOIW-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline
CID 134228987
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one
CID 129170615
6-[3-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(2-methyl-3-phenylphenyl)phenyl]phenanthridine
CID 154955581
1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene
CID 18770062
2-cyclohexa-1,5-dien-1-yl-4-[3-(2-methyl-3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 174327539
3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene
CID 178165636
1-cyclohexa-1,5-dien-1-yl-4-phenylisoquinoline
CID 140797896
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene (CID 144787270) is 1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene is Cc1c(C2=CCCC=C2)cccc1-c1ccccc1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene?
The InChIKey is RNQGXWLSOGNOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-15-18(16-9-4-2-5-10-16)13-8-14-19(15)17-11-6-3-7-12-17/h2,4-6,8-14H,3,7H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene?
1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene has a molecular weight of 246.35 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene is sourced from PubChem (CID 144787270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).