1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol

C21H24O2 — CID 102581061

IUPAC1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol
SMILESOC1(C(O)(/C=C/c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C21H24O2/c22-20(15-8-3-9-16-20)21(23,19-12-6-2-7-13-19)17-14-18-10-4-1-5-11-18/h1-2,4-7,10-14,17,22-23H,3,8-9,15-16H2/b17-14+
InChIKeyDBKUGULJKIFXRN-SAPNQHFASA-N
MW308.42 g/mol
LogP4.28
Rot. Bonds4

About 1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol

1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol (PubChem CID 102581061) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol
PubChem CID102581061
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol
SMILESOC1(C(O)(/C=C/c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C21H24O2/c22-20(15-8-3-9-16-20)21(23,19-12-6-2-7-13-19)17-14-18-10-4-1-5-11-18/h1-2,4-7,10-14,17,22-23H,3,8-9,15-16H2/b17-14+
InChIKeyDBKUGULJKIFXRN-SAPNQHFASA-N
XLogP4.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol (CID 102581061) is 1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol is OC1(C(O)(/C=C/c2ccccc2)c2ccccc2)CCCCC1.
What is the InChIKey of 1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol?
The InChIKey is DBKUGULJKIFXRN-SAPNQHFASA-N. The full InChI is InChI=1S/C21H24O2/c22-20(15-8-3-9-16-20)21(23,19-12-6-2-7-13-19)17-14-18-10-4-1-5-11-18/h1-2,4-7,10-14,17,22-23H,3,8-9,15-16H2/b17-14+.
What are the key properties of 1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol?
1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol has a molecular weight of 308.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol is sourced from PubChem (CID 102581061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).