7-hydroxy-1-naphthalen-2-ylheptan-1-one

C17H20O2 — CID 142086733

IUPAC7-hydroxy-1-naphthalen-2-ylheptan-1-one
SMILESO=C(CCCCCCO)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O2/c18-12-6-2-1-3-9-17(19)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,18H,1-3,6,9,12H2
InChIKeyXPOKZQNLLKUCIR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.97
Rot. Bonds7

About 7-hydroxy-1-naphthalen-2-ylheptan-1-one

7-hydroxy-1-naphthalen-2-ylheptan-1-one (PubChem CID 142086733) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 7-hydroxy-1-naphthalen-2-ylheptan-1-one.

Molecular Properties

Compound Name7-hydroxy-1-naphthalen-2-ylheptan-1-one
PubChem CID142086733
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name7-hydroxy-1-naphthalen-2-ylheptan-1-one
SMILESO=C(CCCCCCO)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O2/c18-12-6-2-1-3-9-17(19)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,18H,1-3,6,9,12H2
InChIKeyXPOKZQNLLKUCIR-UHFFFAOYSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.97
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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Related Compounds

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CID 23072385
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CID 593323
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
7-methyl-1-naphthalen-2-ylnonane-1,8-dione
CID 59908425
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
CID 59200501
ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one
CID 142964448
8-[[(2E,4E)-4-aminohexa-2,4-dien-3-yl]amino]-1-naphthalen-2-yloctan-1-one;ethane
CID 142086759
1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
CID 68907241
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-naphthalen-2-ylheptan-1-one?
The IUPAC name of 7-hydroxy-1-naphthalen-2-ylheptan-1-one (CID 142086733) is 7-hydroxy-1-naphthalen-2-ylheptan-1-one.
What is the SMILES notation for 7-hydroxy-1-naphthalen-2-ylheptan-1-one?
The canonical SMILES for 7-hydroxy-1-naphthalen-2-ylheptan-1-one is O=C(CCCCCCO)c1ccc2ccccc2c1.
What is the InChIKey of 7-hydroxy-1-naphthalen-2-ylheptan-1-one?
The InChIKey is XPOKZQNLLKUCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-12-6-2-1-3-9-17(19)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,18H,1-3,6,9,12H2.
What are the key properties of 7-hydroxy-1-naphthalen-2-ylheptan-1-one?
7-hydroxy-1-naphthalen-2-ylheptan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-naphthalen-2-ylheptan-1-one is sourced from PubChem (CID 142086733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).