6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene

C15H14Cl2 — CID 174373438

IUPAC6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene
SMILESCC(C)=C1C=CC(c2ccccc2)=CC1(Cl)Cl
InChIInChI=1S/C15H14Cl2/c1-11(2)14-9-8-13(10-15(14,16)17)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyDNOMVCXUGAANTH-UHFFFAOYSA-N
MW265.18 g/mol
LogP5.15
Rot. Bonds1

About 6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene

6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene (PubChem CID 174373438) has the molecular formula C15H14Cl2 and a molecular weight of 265.18 g/mol. Its IUPAC name is 6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene
PubChem CID174373438
Molecular FormulaC15H14Cl2
Molecular Weight265.18 g/mol
Exact Mass264.05
IUPAC Name6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene
SMILESCC(C)=C1C=CC(c2ccccc2)=CC1(Cl)Cl
InChIInChI=1S/C15H14Cl2/c1-11(2)14-9-8-13(10-15(14,16)17)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyDNOMVCXUGAANTH-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.18
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(6-chloro-1-fluoro-6-methyl-3-phenylcyclohexa-2,4-dien-1-yl)acetyl chloride
CID 174712029
4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol
CID 23514239
1,6-difluoro-6-methyl-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 170991641
2-(6-chloro-6-methyl-3-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 174698946
acetic acid;1,1'-biphenyl;ethane
CID 91464981
cyclobutadienylbenzene
CID 86042442
acetic acid;1,1'-biphenyl;zinc
CID 70522083
5-tert-butyl-5-chloro-2-phenylcyclohexa-1,3-diene
CID 175021722
6,6-dinitro-4-phenylcyclohexa-2,4-diene-1,1-diamine
CID 22989068
2-[(3E)-hexa-1,3,5-trien-3-yl]-7-methyl-5,7-diphenylcyclohepta-1,3,5-triene
CID 145356580
beryllium;1,1'-biphenyl;hydride
CID 173156439
benzene;1,1'-biphenyl;ethane
CID 158550617

Frequently Asked Questions

What is the IUPAC name of 6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene?
The IUPAC name of 6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene (CID 174373438) is 6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene.
What is the SMILES notation for 6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene?
The canonical SMILES for 6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene is CC(C)=C1C=CC(c2ccccc2)=CC1(Cl)Cl.
What is the InChIKey of 6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene?
The InChIKey is DNOMVCXUGAANTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2/c1-11(2)14-9-8-13(10-15(14,16)17)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene?
6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene has a molecular weight of 265.18 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dichloro-2-phenyl-5-propan-2-ylidenecyclohexa-1,3-diene is sourced from PubChem (CID 174373438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).