1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane

C16H22 — CID 22992573

IUPAC1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC1(C)C(c1ccccc1)C2
InChIInChI=1S/C16H22/c1-15(2)13-9-10-16(15,3)14(11-13)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKeyKTAGTHGWHRJEGQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.62
Rot. Bonds1

About 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane

1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane (PubChem CID 22992573) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane
PubChem CID22992573
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC1(C)C(c1ccccc1)C2
InChIInChI=1S/C16H22/c1-15(2)13-9-10-16(15,3)14(11-13)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKeyKTAGTHGWHRJEGQ-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane?
The IUPAC name of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane (CID 22992573) is 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane?
The canonical SMILES for 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane is CC1(C)C2CCC1(C)C(c1ccccc1)C2.
What is the InChIKey of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane?
The InChIKey is KTAGTHGWHRJEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-15(2)13-9-10-16(15,3)14(11-13)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane?
1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane has a molecular weight of 214.35 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane is sourced from PubChem (CID 22992573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).