1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol

C16H22O2 — CID 12643881

IUPAC1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol
SMILESCC1(C)C2CCC1(C)C(O)(c1ccccc1)C2O
InChIInChI=1S/C16H22O2/c1-14(2)12-9-10-15(14,3)16(18,13(12)17)11-7-5-4-6-8-11/h4-8,12-13,17-18H,9-10H2,1-3H3
InChIKeyLBJOLABNGPWNAP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.69
Rot. Bonds1

About 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol

1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol (PubChem CID 12643881) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol.

Molecular Properties

Compound Name1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol
PubChem CID12643881
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol
SMILESCC1(C)C2CCC1(C)C(O)(c1ccccc1)C2O
InChIInChI=1S/C16H22O2/c1-14(2)12-9-10-15(14,3)16(18,13(12)17)11-7-5-4-6-8-11/h4-8,12-13,17-18H,9-10H2,1-3H3
InChIKeyLBJOLABNGPWNAP-UHFFFAOYSA-N
XLogP2.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol?
The IUPAC name of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol (CID 12643881) is 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol.
What is the SMILES notation for 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol?
The canonical SMILES for 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol is CC1(C)C2CCC1(C)C(O)(c1ccccc1)C2O.
What is the InChIKey of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol?
The InChIKey is LBJOLABNGPWNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-14(2)12-9-10-15(14,3)16(18,13(12)17)11-7-5-4-6-8-11/h4-8,12-13,17-18H,9-10H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol?
1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol has a molecular weight of 246.35 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptane-2,3-diol is sourced from PubChem (CID 12643881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).