1-(cyclohexen-1-yl)-2,2-diphenylethanol

C20H22O — CID 107292880

IUPAC1-(cyclohexen-1-yl)-2,2-diphenylethanol
SMILESOC(C1=CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-14,19-21H,3,8-9,15H2
InChIKeyKGUKBLTWIXSDIW-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.68
Rot. Bonds4

About 1-(cyclohexen-1-yl)-2,2-diphenylethanol

1-(cyclohexen-1-yl)-2,2-diphenylethanol (PubChem CID 107292880) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2,2-diphenylethanol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2,2-diphenylethanol
PubChem CID107292880
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name1-(cyclohexen-1-yl)-2,2-diphenylethanol
SMILESOC(C1=CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-14,19-21H,3,8-9,15H2
InChIKeyKGUKBLTWIXSDIW-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2,2-diphenylethanol?
The IUPAC name of 1-(cyclohexen-1-yl)-2,2-diphenylethanol (CID 107292880) is 1-(cyclohexen-1-yl)-2,2-diphenylethanol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2,2-diphenylethanol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2,2-diphenylethanol is OC(C1=CCCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2,2-diphenylethanol?
The InChIKey is KGUKBLTWIXSDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-14,19-21H,3,8-9,15H2.
What are the key properties of 1-(cyclohexen-1-yl)-2,2-diphenylethanol?
1-(cyclohexen-1-yl)-2,2-diphenylethanol has a molecular weight of 278.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2,2-diphenylethanol is sourced from PubChem (CID 107292880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).