2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol

C17H24O — CID 114246918

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol
SMILESCCC(CO)(c1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C17H24O/c1-2-17(12-18,15-6-4-3-5-7-15)16-11-13-8-9-14(16)10-13/h3-7,13-14,16,18H,2,8-12H2,1H3
InChIKeyJVLQJVMVOUNPHR-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.76
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol

2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol (PubChem CID 114246918) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol
PubChem CID114246918
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol
SMILESCCC(CO)(c1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C17H24O/c1-2-17(12-18,15-6-4-3-5-7-15)16-11-13-8-9-14(16)10-13/h3-7,13-14,16,18H,2,8-12H2,1H3
InChIKeyJVLQJVMVOUNPHR-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol (CID 114246918) is 2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol is CCC(CO)(c1ccccc1)C1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol?
The InChIKey is JVLQJVMVOUNPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-2-17(12-18,15-6-4-3-5-7-15)16-11-13-8-9-14(16)10-13/h3-7,13-14,16,18H,2,8-12H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol?
2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol is sourced from PubChem (CID 114246918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).