6-naphthalen-1-yloxyhex-1-en-3-one

C16H16O2 — CID 134187093

IUPAC6-naphthalen-1-yloxyhex-1-en-3-one
SMILESC=CC(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-2-14(17)9-6-12-18-16-11-5-8-13-7-3-4-10-15(13)16/h2-5,7-8,10-11H,1,6,9,12H2
InChIKeyBNBYKOSNGOBDEF-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.75
Rot. Bonds6

About 6-naphthalen-1-yloxyhex-1-en-3-one

6-naphthalen-1-yloxyhex-1-en-3-one (PubChem CID 134187093) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-naphthalen-1-yloxyhex-1-en-3-one.

Molecular Properties

Compound Name6-naphthalen-1-yloxyhex-1-en-3-one
PubChem CID134187093
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name6-naphthalen-1-yloxyhex-1-en-3-one
SMILESC=CC(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-2-14(17)9-6-12-18-16-11-5-8-13-7-3-4-10-15(13)16/h2-5,7-8,10-11H,1,6,9,12H2
InChIKeyBNBYKOSNGOBDEF-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
CID 119238607
N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
CID 55706773
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211
4-naphthalen-1-yloxy-N-piperidin-4-ylbutanamide
CID 119390244
N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 46469275
naphthalen-1-yl prop-2-enoate
CID 10192638
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
4-naphthalen-1-yloxy-N-(4-oxo-1H-pyridin-3-yl)butanamide
CID 51118907
2-[2-(4-naphthalen-1-yloxybutanoylamino)ethylsulfanyl]acetic acid
CID 119242654
N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide
CID 46472167
N',N'-dimethyl-3-naphthalen-1-yloxypropanehydrazide
CID 116820813

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yloxyhex-1-en-3-one?
The IUPAC name of 6-naphthalen-1-yloxyhex-1-en-3-one (CID 134187093) is 6-naphthalen-1-yloxyhex-1-en-3-one.
What is the SMILES notation for 6-naphthalen-1-yloxyhex-1-en-3-one?
The canonical SMILES for 6-naphthalen-1-yloxyhex-1-en-3-one is C=CC(=O)CCCOc1cccc2ccccc12.
What is the InChIKey of 6-naphthalen-1-yloxyhex-1-en-3-one?
The InChIKey is BNBYKOSNGOBDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-14(17)9-6-12-18-16-11-5-8-13-7-3-4-10-15(13)16/h2-5,7-8,10-11H,1,6,9,12H2.
What are the key properties of 6-naphthalen-1-yloxyhex-1-en-3-one?
6-naphthalen-1-yloxyhex-1-en-3-one has a molecular weight of 240.30 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yloxyhex-1-en-3-one is sourced from PubChem (CID 134187093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).