2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene

C17H15Br — CID 90231486

IUPAC2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene
SMILESCC1C=C(Br)C=C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H15Br/c1-12-8-16(11-17(18)9-12)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,9-12H,8H2,1H3
InChIKeyBNZJIRYGVFJWMD-UHFFFAOYSA-N
MW299.21 g/mol
LogP5.54
Rot. Bonds1

About 2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene

2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene (PubChem CID 90231486) has the molecular formula C17H15Br and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene.

Molecular Properties

Compound Name2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene
PubChem CID90231486
Molecular FormulaC17H15Br
Molecular Weight299.21 g/mol
Exact Mass298.04
IUPAC Name2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene
SMILESCC1C=C(Br)C=C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H15Br/c1-12-8-16(11-17(18)9-12)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,9-12H,8H2,1H3
InChIKeyBNZJIRYGVFJWMD-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.21
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole
CID 101496554
5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 23643899
benzo[f]azulene
CID 13065869
2-[3-(3-methyl-5-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]-4,6-diphenylpyrimidine
CID 166797282
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
4,6-dibromo-2-naphthalen-2-ylpyrimidine
CID 71324653
(2R)-1,2-dimethyl-3-naphthalen-2-yl-2,5-dihydropyrrole
CID 11241558
2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene
CID 59051454
anthracene;2-methyloxirane
CID 174666283
2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile
CID 171976234
(1R,6R)-3-naphthalen-2-yl-6-(propan-2-ylamino)cyclohex-2-en-1-ol
CID 13147188
(1R)-1,3-dimethyl-9-naphthalen-2-yl-1,2-dihydroanthracene
CID 143477898

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene?
The IUPAC name of 2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene (CID 90231486) is 2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene.
What is the SMILES notation for 2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene?
The canonical SMILES for 2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene is CC1C=C(Br)C=C(c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene?
The InChIKey is BNZJIRYGVFJWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br/c1-12-8-16(11-17(18)9-12)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,9-12H,8H2,1H3.
What are the key properties of 2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene?
2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene has a molecular weight of 299.21 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylcyclohexa-1,3-dien-1-yl)naphthalene is sourced from PubChem (CID 90231486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).