4-naphthalen-1-ylcyclohex-3-en-1-one

C16H14O — CID 79020378

IUPAC4-naphthalen-1-ylcyclohex-3-en-1-one
SMILESO=C1CC=C(c2cccc3ccccc23)CC1
InChIInChI=1S/C16H14O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-8H,9-11H2
InChIKeyZVASEMJOXXSSEH-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.98
Rot. Bonds1

About 4-naphthalen-1-ylcyclohex-3-en-1-one

4-naphthalen-1-ylcyclohex-3-en-1-one (PubChem CID 79020378) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-naphthalen-1-ylcyclohex-3-en-1-one.

Molecular Properties

Compound Name4-naphthalen-1-ylcyclohex-3-en-1-one
PubChem CID79020378
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name4-naphthalen-1-ylcyclohex-3-en-1-one
SMILESO=C1CC=C(c2cccc3ccccc23)CC1
InChIInChI=1S/C16H14O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-8H,9-11H2
InChIKeyZVASEMJOXXSSEH-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one
CID 134382066
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene
CID 143924056
1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene
CID 139071014
bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)
CID 173449057
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione
CID 22501380

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylcyclohex-3-en-1-one?
The IUPAC name of 4-naphthalen-1-ylcyclohex-3-en-1-one (CID 79020378) is 4-naphthalen-1-ylcyclohex-3-en-1-one.
What is the SMILES notation for 4-naphthalen-1-ylcyclohex-3-en-1-one?
The canonical SMILES for 4-naphthalen-1-ylcyclohex-3-en-1-one is O=C1CC=C(c2cccc3ccccc23)CC1.
What is the InChIKey of 4-naphthalen-1-ylcyclohex-3-en-1-one?
The InChIKey is ZVASEMJOXXSSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-8H,9-11H2.
What are the key properties of 4-naphthalen-1-ylcyclohex-3-en-1-one?
4-naphthalen-1-ylcyclohex-3-en-1-one has a molecular weight of 222.29 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylcyclohex-3-en-1-one is sourced from PubChem (CID 79020378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).