3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one

C19H18O — CID 144547691

IUPAC3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one
SMILESO=C(CCC1=CCCC=C1)c1cccc2ccccc12
InChIInChI=1S/C19H18O/c20-19(14-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h2,4-12H,1,3,13-14H2
InChIKeyRRLSWOFEJYIEAI-UHFFFAOYSA-N
MW262.35 g/mol
LogP5.08
Rot. Bonds4

About 3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one

3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one (PubChem CID 144547691) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one
PubChem CID144547691
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one
SMILESO=C(CCC1=CCCC=C1)c1cccc2ccccc12
InChIInChI=1S/C19H18O/c20-19(14-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h2,4-12H,1,3,13-14H2
InChIKeyRRLSWOFEJYIEAI-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.35
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 172834804
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1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
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4-amino-1-naphthalen-1-ylpentan-1-one
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CID 62717239

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one (CID 144547691) is 3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one is O=C(CCC1=CCCC=C1)c1cccc2ccccc12.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one?
The InChIKey is RRLSWOFEJYIEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c20-19(14-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h2,4-12H,1,3,13-14H2.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one?
3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-1-naphthalen-1-ylpropan-1-one is sourced from PubChem (CID 144547691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).