cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol

C16H20O2 — CID 63709562

IUPACcyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol
SMILESOC(C1=CCCCC1)C1CCOc2ccccc21
InChIInChI=1S/C16H20O2/c17-16(12-6-2-1-3-7-12)14-10-11-18-15-9-5-4-8-13(14)15/h4-6,8-9,14,16-17H,1-3,7,10-11H2
InChIKeyGKYHJSRXIJYCRY-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.41
Rot. Bonds2

About cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol

cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol (PubChem CID 63709562) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol
PubChem CID63709562
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Namecyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol
SMILESOC(C1=CCCCC1)C1CCOc2ccccc21
InChIInChI=1S/C16H20O2/c17-16(12-6-2-1-3-7-12)14-10-11-18-15-9-5-4-8-13(14)15/h4-6,8-9,14,16-17H,1-3,7,10-11H2
InChIKeyGKYHJSRXIJYCRY-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
CID 63709198
3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 55225890
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 79990942
(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709739
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
methyl 5-[3,4-dihydro-2H-chromen-4-yl(hydroxy)methyl]furan-2-carboxylate
CID 106947127
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
CID 65410168
1-(3,4-dihydro-2H-chromen-4-yl)but-3-yn-1-ol
CID 65411928
cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 107308166

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol?
The IUPAC name of cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol (CID 63709562) is cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol.
What is the SMILES notation for cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol?
The canonical SMILES for cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol is OC(C1=CCCCC1)C1CCOc2ccccc21.
What is the InChIKey of cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol?
The InChIKey is GKYHJSRXIJYCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-16(12-6-2-1-3-7-12)14-10-11-18-15-9-5-4-8-13(14)15/h4-6,8-9,14,16-17H,1-3,7,10-11H2.
What are the key properties of cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol?
cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol has a molecular weight of 244.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol is sourced from PubChem (CID 63709562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).