1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol

C20H18O — CID 15251550

IUPAC1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol
SMILESCC(O)C1=C(C#Cc2ccccc2)c2ccccc2CC1
InChIInChI=1S/C20H18O/c1-15(21)18-14-12-17-9-5-6-10-19(17)20(18)13-11-16-7-3-2-4-8-16/h2-10,15,21H,12,14H2,1H3
InChIKeyNSFHVSMKHMZAFJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.82
Rot. Bonds1

About 1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol

1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol (PubChem CID 15251550) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol
PubChem CID15251550
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol
SMILESCC(O)C1=C(C#Cc2ccccc2)c2ccccc2CC1
InChIInChI=1S/C20H18O/c1-15(21)18-14-12-17-9-5-6-10-19(17)20(18)13-11-16-7-3-2-4-8-16/h2-10,15,21H,12,14H2,1H3
InChIKeyNSFHVSMKHMZAFJ-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.82
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-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol?
The IUPAC name of 1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol (CID 15251550) is 1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol.
What is the SMILES notation for 1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol?
The canonical SMILES for 1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol is CC(O)C1=C(C#Cc2ccccc2)c2ccccc2CC1.
What is the InChIKey of 1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol?
The InChIKey is NSFHVSMKHMZAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-15(21)18-14-12-17-9-5-6-10-19(17)20(18)13-11-16-7-3-2-4-8-16/h2-10,15,21H,12,14H2,1H3.
What are the key properties of 1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol?
1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol has a molecular weight of 274.36 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]ethanol is sourced from PubChem (CID 15251550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).