2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol

C18H28O2 — CID 79423639

IUPAC2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CC(C)(O)c2ccccc2)C1
InChIInChI=1S/C18H28O2/c1-13(2)14-9-10-17(19)15(11-14)12-18(3,20)16-7-5-4-6-8-16/h4-8,13-15,17,19-20H,9-12H2,1-3H3
InChIKeyCXOHGGJAQBCCTN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.72
Rot. Bonds4

About 2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol

2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79423639) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID79423639
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CC(C)(O)c2ccccc2)C1
InChIInChI=1S/C18H28O2/c1-13(2)14-9-10-17(19)15(11-14)12-18(3,20)16-7-5-4-6-8-16/h4-8,13-15,17,19-20H,9-12H2,1-3H3
InChIKeyCXOHGGJAQBCCTN-UHFFFAOYSA-N
XLogP3.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol (CID 79423639) is 2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CC(C)(O)c2ccccc2)C1.
What is the InChIKey of 2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is CXOHGGJAQBCCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-13(2)14-9-10-17(19)15(11-14)12-18(3,20)16-7-5-4-6-8-16/h4-8,13-15,17,19-20H,9-12H2,1-3H3.
What are the key properties of 2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol?
2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79423639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).