2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene

C17H16 — CID 143516751

IUPAC2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene
SMILESCc1ccc2cc(C3=CC=CCC3)ccc2c1
InChIInChI=1S/C17H16/c1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14/h2-3,5,7-12H,4,6H2,1H3
InChIKeyJQYXZXQUZZFCSY-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.88
Rot. Bonds1

About 2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene

2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene (PubChem CID 143516751) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene
PubChem CID143516751
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene
SMILESCc1ccc2cc(C3=CC=CCC3)ccc2c1
InChIInChI=1S/C17H16/c1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14/h2-3,5,7-12H,4,6H2,1H3
InChIKeyJQYXZXQUZZFCSY-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene
CID 173197381
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
1-N-(5-cyclohexa-1,3-dien-1-yl-2-methylphenyl)-1-N,3-N-bis(2,5-dimethylphenyl)-3-N-(2-methyl-5-phenylphenyl)pyrene-1,3-diamine
CID 156558064
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
2-cyclohexa-1,3-dien-1-yl-4-methyl-1-methylsulfanylbenzene
CID 145354748
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
3-[(5-cyclohexa-1,3-dien-1-yl-2-methylphenyl)methyl]phenanthrene
CID 123966745
2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane
CID 144659778
2-methyl-6-(4-methylcyclohexen-1-yl)naphthalene
CID 20500094
4-cyclohexa-1,3-dien-1-ylbenzaldehyde
CID 89145336
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
2-methyl-6-[3-(6-methylnaphthalen-2-yl)phenyl]naphthalene
CID 58943209

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene (CID 143516751) is 2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene is Cc1ccc2cc(C3=CC=CCC3)ccc2c1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene?
The InChIKey is JQYXZXQUZZFCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14/h2-3,5,7-12H,4,6H2,1H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene?
2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene has a molecular weight of 220.31 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene is sourced from PubChem (CID 143516751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).