1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol

C18H18O — CID 24795543

IUPAC1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol
SMILESOC1(C#Cc2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C18H18O/c19-18(11-4-1-5-12-18)13-10-15-8-9-16-6-2-3-7-17(16)14-15/h2-3,6-9,14,19H,1,4-5,11-12H2
InChIKeyRWOQYLISENCEDW-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.89
Rot. Bonds

About 1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol

1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol (PubChem CID 24795543) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol
PubChem CID24795543
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol
SMILESOC1(C#Cc2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C18H18O/c19-18(11-4-1-5-12-18)13-10-15-8-9-16-6-2-3-7-17(16)14-15/h2-3,6-9,14,19H,1,4-5,11-12H2
InChIKeyRWOQYLISENCEDW-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol (CID 24795543) is 1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol is OC1(C#Cc2ccc3ccccc3c2)CCCCC1.
What is the InChIKey of 1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol?
The InChIKey is RWOQYLISENCEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c19-18(11-4-1-5-12-18)13-10-15-8-9-16-6-2-3-7-17(16)14-15/h2-3,6-9,14,19H,1,4-5,11-12H2.
What are the key properties of 1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol?
1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol is sourced from PubChem (CID 24795543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).