1-naphthalen-2-ylhept-6-yn-2-ol

C17H18O — CID 105124705

IUPAC1-naphthalen-2-ylhept-6-yn-2-ol
SMILESC#CCCCC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H18O/c1-2-3-4-9-17(18)13-14-10-11-15-7-5-6-8-16(15)12-14/h1,5-8,10-12,17-18H,3-4,9,13H2
InChIKeyKPQNFMOIRKUTIB-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.55
Rot. Bonds5

About 1-naphthalen-2-ylhept-6-yn-2-ol

1-naphthalen-2-ylhept-6-yn-2-ol (PubChem CID 105124705) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-naphthalen-2-ylhept-6-yn-2-ol.

Molecular Properties

Compound Name1-naphthalen-2-ylhept-6-yn-2-ol
PubChem CID105124705
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-naphthalen-2-ylhept-6-yn-2-ol
SMILESC#CCCCC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H18O/c1-2-3-4-9-17(18)13-14-10-11-15-7-5-6-8-16(15)12-14/h1,5-8,10-12,17-18H,3-4,9,13H2
InChIKeyKPQNFMOIRKUTIB-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylhept-6-yn-2-ol?
The IUPAC name of 1-naphthalen-2-ylhept-6-yn-2-ol (CID 105124705) is 1-naphthalen-2-ylhept-6-yn-2-ol.
What is the SMILES notation for 1-naphthalen-2-ylhept-6-yn-2-ol?
The canonical SMILES for 1-naphthalen-2-ylhept-6-yn-2-ol is C#CCCCC(O)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylhept-6-yn-2-ol?
The InChIKey is KPQNFMOIRKUTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-2-3-4-9-17(18)13-14-10-11-15-7-5-6-8-16(15)12-14/h1,5-8,10-12,17-18H,3-4,9,13H2.
What are the key properties of 1-naphthalen-2-ylhept-6-yn-2-ol?
1-naphthalen-2-ylhept-6-yn-2-ol has a molecular weight of 238.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylhept-6-yn-2-ol is sourced from PubChem (CID 105124705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).