1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one

C26H24O2 — CID 139885546

IUPAC1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one
SMILESCCCCCC(=O)c1cc2ccccc2c(-c2cccc3ccccc23)c1O
InChIInChI=1S/C26H24O2/c1-2-3-4-16-24(27)23-17-19-11-6-8-14-21(19)25(26(23)28)22-15-9-12-18-10-5-7-13-20(18)22/h5-15,17,28H,2-4,16H2,1H3
InChIKeyGQKHAAMCAPNESJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP7.13
Rot. Bonds6

About 1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one

1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one (PubChem CID 139885546) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one
PubChem CID139885546
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Name1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one
SMILESCCCCCC(=O)c1cc2ccccc2c(-c2cccc3ccccc23)c1O
InChIInChI=1S/C26H24O2/c1-2-3-4-16-24(27)23-17-19-11-6-8-14-21(19)25(26(23)28)22-15-9-12-18-10-5-7-13-20(18)22/h5-15,17,28H,2-4,16H2,1H3
InChIKeyGQKHAAMCAPNESJ-UHFFFAOYSA-N
XLogP7.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one?
The IUPAC name of 1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one (CID 139885546) is 1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one.
What is the SMILES notation for 1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one?
The canonical SMILES for 1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one is CCCCCC(=O)c1cc2ccccc2c(-c2cccc3ccccc23)c1O.
What is the InChIKey of 1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one?
The InChIKey is GQKHAAMCAPNESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O2/c1-2-3-4-16-24(27)23-17-19-11-6-8-14-21(19)25(26(23)28)22-15-9-12-18-10-5-7-13-20(18)22/h5-15,17,28H,2-4,16H2,1H3.
What are the key properties of 1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one?
1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one has a molecular weight of 368.48 g/mol, XLogP of 7.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one is sourced from PubChem (CID 139885546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).