1,6-bis(prop-1-ynyl)naphthalen-2-ol

C16H12O — CID 90345843

IUPAC1,6-bis(prop-1-ynyl)naphthalen-2-ol
SMILESCC#Cc1ccc2c(C#CC)c(O)ccc2c1
InChIInChI=1S/C16H12O/c1-3-5-12-7-9-14-13(11-12)8-10-16(17)15(14)6-4-2/h7-11,17H,1-2H3
InChIKeyWRRJZLGJGXKIED-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.29
Rot. Bonds

About 1,6-bis(prop-1-ynyl)naphthalen-2-ol

1,6-bis(prop-1-ynyl)naphthalen-2-ol (PubChem CID 90345843) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 1,6-bis(prop-1-ynyl)naphthalen-2-ol.

Molecular Properties

Compound Name1,6-bis(prop-1-ynyl)naphthalen-2-ol
PubChem CID90345843
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name1,6-bis(prop-1-ynyl)naphthalen-2-ol
SMILESCC#Cc1ccc2c(C#CC)c(O)ccc2c1
InChIInChI=1S/C16H12O/c1-3-5-12-7-9-14-13(11-12)8-10-16(17)15(14)6-4-2/h7-11,17H,1-2H3
InChIKeyWRRJZLGJGXKIED-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.29
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 1,6-bis(prop-1-ynyl)naphthalen-2-ol?
The IUPAC name of 1,6-bis(prop-1-ynyl)naphthalen-2-ol (CID 90345843) is 1,6-bis(prop-1-ynyl)naphthalen-2-ol.
What is the SMILES notation for 1,6-bis(prop-1-ynyl)naphthalen-2-ol?
The canonical SMILES for 1,6-bis(prop-1-ynyl)naphthalen-2-ol is CC#Cc1ccc2c(C#CC)c(O)ccc2c1.
What is the InChIKey of 1,6-bis(prop-1-ynyl)naphthalen-2-ol?
The InChIKey is WRRJZLGJGXKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c1-3-5-12-7-9-14-13(11-12)8-10-16(17)15(14)6-4-2/h7-11,17H,1-2H3.
What are the key properties of 1,6-bis(prop-1-ynyl)naphthalen-2-ol?
1,6-bis(prop-1-ynyl)naphthalen-2-ol has a molecular weight of 220.27 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(prop-1-ynyl)naphthalen-2-ol is sourced from PubChem (CID 90345843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).