1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol

C20H30O — CID 115401282

IUPAC1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol
SMILESCC(C)c1ccc(CC2(O)C3(C)CCC(C3)C2(C)C)cc1
InChIInChI=1S/C20H30O/c1-14(2)16-8-6-15(7-9-16)12-20(21)18(3,4)17-10-11-19(20,5)13-17/h6-9,14,17,21H,10-13H2,1-5H3
InChIKeyGLFFKYWWDNLDQT-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.93
Rot. Bonds3

About 1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol

1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol (PubChem CID 115401282) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol
PubChem CID115401282
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol
SMILESCC(C)c1ccc(CC2(O)C3(C)CCC(C3)C2(C)C)cc1
InChIInChI=1S/C20H30O/c1-14(2)16-8-6-15(7-9-16)12-20(21)18(3,4)17-10-11-19(20,5)13-17/h6-9,14,17,21H,10-13H2,1-5H3
InChIKeyGLFFKYWWDNLDQT-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol (CID 115401282) is 1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol is CC(C)c1ccc(CC2(O)C3(C)CCC(C3)C2(C)C)cc1.
What is the InChIKey of 1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol?
The InChIKey is GLFFKYWWDNLDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-14(2)16-8-6-15(7-9-16)12-20(21)18(3,4)17-10-11-19(20,5)13-17/h6-9,14,17,21H,10-13H2,1-5H3.
What are the key properties of 1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol?
1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol has a molecular weight of 286.46 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 115401282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).