1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol

C18H22O2 — CID 102249674

IUPAC1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(C#CC2(O)CCCc3ccccc32)CCCCC1
InChIInChI=1S/C18H22O2/c19-17(10-4-1-5-11-17)13-14-18(20)12-6-8-15-7-2-3-9-16(15)18/h2-3,7,9,19-20H,1,4-6,8,10-12H2
InChIKeyKXLVBFQAEDYWDQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.91
Rot. Bonds

About 1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol

1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 102249674) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID102249674
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(C#CC2(O)CCCc3ccccc32)CCCCC1
InChIInChI=1S/C18H22O2/c19-17(10-4-1-5-11-17)13-14-18(20)12-6-8-15-7-2-3-9-16(15)18/h2-3,7,9,19-20H,1,4-6,8,10-12H2
InChIKeyKXLVBFQAEDYWDQ-UHFFFAOYSA-N
XLogP2.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 102249674) is 1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol is OC1(C#CC2(O)CCCc3ccccc32)CCCCC1.
What is the InChIKey of 1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is KXLVBFQAEDYWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-17(10-4-1-5-11-17)13-14-18(20)12-6-8-15-7-2-3-9-16(15)18/h2-3,7,9,19-20H,1,4-6,8,10-12H2.
What are the key properties of 1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol?
1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 270.37 g/mol, XLogP of 2.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 102249674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).