3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol

C23H20O — CID 171060361

IUPAC3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol
SMILESC=CCCC(O)(C#Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H20O/c1-2-3-16-23(24,17-15-19-9-5-4-6-10-19)22-14-13-20-11-7-8-12-21(20)18-22/h2,4-14,18,24H,1,3,16H2
InChIKeyWJDKRVANAYHSSD-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.05
Rot. Bonds4

About 3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol

3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol (PubChem CID 171060361) has the molecular formula C23H20O and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol.

Molecular Properties

Compound Name3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol
PubChem CID171060361
Molecular FormulaC23H20O
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Name3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol
SMILESC=CCCC(O)(C#Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H20O/c1-2-3-16-23(24,17-15-19-9-5-4-6-10-19)22-14-13-20-11-7-8-12-21(20)18-22/h2,4-14,18,24H,1,3,16H2
InChIKeyWJDKRVANAYHSSD-UHFFFAOYSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol?
The IUPAC name of 3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol (CID 171060361) is 3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol.
What is the SMILES notation for 3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol?
The canonical SMILES for 3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol is C=CCCC(O)(C#Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol?
The InChIKey is WJDKRVANAYHSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O/c1-2-3-16-23(24,17-15-19-9-5-4-6-10-19)22-14-13-20-11-7-8-12-21(20)18-22/h2,4-14,18,24H,1,3,16H2.
What are the key properties of 3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol?
3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol has a molecular weight of 312.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol is sourced from PubChem (CID 171060361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).