1,4-dimethyl-2-phenylcyclohexa-1,3-diene

C14H16 — CID 90955588

IUPAC1,4-dimethyl-2-phenylcyclohexa-1,3-diene
SMILESCC1=CC(c2ccccc2)=C(C)CC1
InChIInChI=1S/C14H16/c1-11-8-9-12(2)14(10-11)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyONYBDOUOMBEJDI-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.20
Rot. Bonds1

About 1,4-dimethyl-2-phenylcyclohexa-1,3-diene

1,4-dimethyl-2-phenylcyclohexa-1,3-diene (PubChem CID 90955588) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,4-dimethyl-2-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,4-dimethyl-2-phenylcyclohexa-1,3-diene
PubChem CID90955588
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1,4-dimethyl-2-phenylcyclohexa-1,3-diene
SMILESCC1=CC(c2ccccc2)=C(C)CC1
InChIInChI=1S/C14H16/c1-11-8-9-12(2)14(10-11)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyONYBDOUOMBEJDI-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-phenylcyclohexa-1,3-diene?
The IUPAC name of 1,4-dimethyl-2-phenylcyclohexa-1,3-diene (CID 90955588) is 1,4-dimethyl-2-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 1,4-dimethyl-2-phenylcyclohexa-1,3-diene?
The canonical SMILES for 1,4-dimethyl-2-phenylcyclohexa-1,3-diene is CC1=CC(c2ccccc2)=C(C)CC1.
What is the InChIKey of 1,4-dimethyl-2-phenylcyclohexa-1,3-diene?
The InChIKey is ONYBDOUOMBEJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-11-8-9-12(2)14(10-11)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1,4-dimethyl-2-phenylcyclohexa-1,3-diene?
1,4-dimethyl-2-phenylcyclohexa-1,3-diene has a molecular weight of 184.28 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 90955588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).