1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane

C17H23OP — CID 67639379

IUPAC1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane
SMILESCc1c(P=O)cccc1C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H23OP/c1-11-13(6-5-7-15(11)19-18)14-10-12-8-9-17(14,4)16(12,2)3/h5-7,12,14H,8-10H2,1-4H3
InChIKeyFPEBRVQTBCZEOA-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.84
Rot. Bonds2

About 1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane

1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane (PubChem CID 67639379) has the molecular formula C17H23OP and a molecular weight of 274.34 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane
PubChem CID67639379
Molecular FormulaC17H23OP
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane
SMILESCc1c(P=O)cccc1C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H23OP/c1-11-13(6-5-7-15(11)19-18)14-10-12-8-9-17(14,4)16(12,2)3/h5-7,12,14H,8-10H2,1-4H3
InChIKeyFPEBRVQTBCZEOA-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane?
The IUPAC name of 1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane (CID 67639379) is 1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane is Cc1c(P=O)cccc1C1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane?
The InChIKey is FPEBRVQTBCZEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23OP/c1-11-13(6-5-7-15(11)19-18)14-10-12-8-9-17(14,4)16(12,2)3/h5-7,12,14H,8-10H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane?
1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane has a molecular weight of 274.34 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 67639379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).