cyclohexen-1-yl-(3-phenoxyphenyl)methanol

C19H20O2 — CID 106651003

IUPACcyclohexen-1-yl-(3-phenoxyphenyl)methanol
SMILESOC(C1=CCCCC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H20O2/c20-19(15-8-3-1-4-9-15)16-10-7-13-18(14-16)21-17-11-5-2-6-12-17/h2,5-8,10-14,19-20H,1,3-4,9H2
InChIKeyYVVNYTJZZFXWKL-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.01
Rot. Bonds4

About cyclohexen-1-yl-(3-phenoxyphenyl)methanol

cyclohexen-1-yl-(3-phenoxyphenyl)methanol (PubChem CID 106651003) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is cyclohexen-1-yl-(3-phenoxyphenyl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl-(3-phenoxyphenyl)methanol
PubChem CID106651003
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Namecyclohexen-1-yl-(3-phenoxyphenyl)methanol
SMILESOC(C1=CCCCC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H20O2/c20-19(15-8-3-1-4-9-15)16-10-7-13-18(14-16)21-17-11-5-2-6-12-17/h2,5-8,10-14,19-20H,1,3-4,9H2
InChIKeyYVVNYTJZZFXWKL-UHFFFAOYSA-N
XLogP5.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexen-1-yl-[3-(trifluoromethoxy)phenyl]methanol
CID 107105027
[(1E)-cycloocten-1-yl]-(3-ethoxyphenyl)methanol
CID 106650934
cyclopenten-1-yl(phenyl)methanol
CID 62079270
1-(cyclohexen-1-yl)-2,2-diphenylethanol
CID 107292880
1-(3-phenoxyphenyl)ethanol
CID 12882419
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclohexen-1-yl-(4-ethoxyphenyl)methanol
CID 55033893
(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
CID 106651534
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
CID 106657566

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(3-phenoxyphenyl)methanol?
The IUPAC name of cyclohexen-1-yl-(3-phenoxyphenyl)methanol (CID 106651003) is cyclohexen-1-yl-(3-phenoxyphenyl)methanol.
What is the SMILES notation for cyclohexen-1-yl-(3-phenoxyphenyl)methanol?
The canonical SMILES for cyclohexen-1-yl-(3-phenoxyphenyl)methanol is OC(C1=CCCCC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of cyclohexen-1-yl-(3-phenoxyphenyl)methanol?
The InChIKey is YVVNYTJZZFXWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-19(15-8-3-1-4-9-15)16-10-7-13-18(14-16)21-17-11-5-2-6-12-17/h2,5-8,10-14,19-20H,1,3-4,9H2.
What are the key properties of cyclohexen-1-yl-(3-phenoxyphenyl)methanol?
cyclohexen-1-yl-(3-phenoxyphenyl)methanol has a molecular weight of 280.37 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(3-phenoxyphenyl)methanol is sourced from PubChem (CID 106651003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).