5-methyl-2-phenylcyclohepta-1,3-diene

C14H16 — CID 143994099

IUPAC5-methyl-2-phenylcyclohepta-1,3-diene
SMILESCC1C=CC(c2ccccc2)=CCC1
InChIInChI=1S/C14H16/c1-12-6-5-9-14(11-10-12)13-7-3-2-4-8-13/h2-4,7-12H,5-6H2,1H3
InChIKeyGOBYHAWJZHZBME-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.06
Rot. Bonds1

About 5-methyl-2-phenylcyclohepta-1,3-diene

5-methyl-2-phenylcyclohepta-1,3-diene (PubChem CID 143994099) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-methyl-2-phenylcyclohepta-1,3-diene.

Molecular Properties

Compound Name5-methyl-2-phenylcyclohepta-1,3-diene
PubChem CID143994099
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name5-methyl-2-phenylcyclohepta-1,3-diene
SMILESCC1C=CC(c2ccccc2)=CCC1
InChIInChI=1S/C14H16/c1-12-6-5-9-14(11-10-12)13-7-3-2-4-8-13/h2-4,7-12H,5-6H2,1H3
InChIKeyGOBYHAWJZHZBME-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylcyclohepta-1,3-diene?
The IUPAC name of 5-methyl-2-phenylcyclohepta-1,3-diene (CID 143994099) is 5-methyl-2-phenylcyclohepta-1,3-diene.
What is the SMILES notation for 5-methyl-2-phenylcyclohepta-1,3-diene?
The canonical SMILES for 5-methyl-2-phenylcyclohepta-1,3-diene is CC1C=CC(c2ccccc2)=CCC1.
What is the InChIKey of 5-methyl-2-phenylcyclohepta-1,3-diene?
The InChIKey is GOBYHAWJZHZBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-12-6-5-9-14(11-10-12)13-7-3-2-4-8-13/h2-4,7-12H,5-6H2,1H3.
What are the key properties of 5-methyl-2-phenylcyclohepta-1,3-diene?
5-methyl-2-phenylcyclohepta-1,3-diene has a molecular weight of 184.28 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylcyclohepta-1,3-diene is sourced from PubChem (CID 143994099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).