cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol

C18H20O2 — CID 106651325

IUPACcyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol
SMILESCOc1ccc(C(O)C2=CCCCC2)c2ccccc12
InChIInChI=1S/C18H20O2/c1-20-17-12-11-16(14-9-5-6-10-15(14)17)18(19)13-7-3-2-4-8-13/h5-7,9-12,18-19H,2-4,8H2,1H3
InChIKeyNAUFYJJQOPDRJJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.38
Rot. Bonds3

About cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol

cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol (PubChem CID 106651325) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol
PubChem CID106651325
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Namecyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol
SMILESCOc1ccc(C(O)C2=CCCCC2)c2ccccc12
InChIInChI=1S/C18H20O2/c1-20-17-12-11-16(14-9-5-6-10-15(14)17)18(19)13-7-3-2-4-8-13/h5-7,9-12,18-19H,2-4,8H2,1H3
InChIKeyNAUFYJJQOPDRJJ-UHFFFAOYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.38
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

(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 62079642
2,3-dihydrofuran-5-yl-(4-methoxynaphthalen-1-yl)methanol
CID 102650695
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
(2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 106651584
[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol
CID 106651033
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
CID 106657566
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
CID 106657529
2-cyclobutyl-1-(4-methoxynaphthalen-1-yl)ethanol
CID 103165335
cyclopenten-1-yl(phenyl)methanol
CID 62079270

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol?
The IUPAC name of cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol (CID 106651325) is cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol.
What is the SMILES notation for cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol?
The canonical SMILES for cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol is COc1ccc(C(O)C2=CCCCC2)c2ccccc12.
What is the InChIKey of cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol?
The InChIKey is NAUFYJJQOPDRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-20-17-12-11-16(14-9-5-6-10-15(14)17)18(19)13-7-3-2-4-8-13/h5-7,9-12,18-19H,2-4,8H2,1H3.
What are the key properties of cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol?
cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol has a molecular weight of 268.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol is sourced from PubChem (CID 106651325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).