4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one

C18H15ClO — CID 118087557

IUPAC4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESC=Cc1ccc(C2CCC(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C18H15ClO/c1-2-12-7-8-13(11-17(12)19)14-9-10-18(20)16-6-4-3-5-15(14)16/h2-8,11,14H,1,9-10H2
InChIKeyAHFFBHNWCYNASD-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.09
Rot. Bonds2

About 4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one

4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 118087557) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID118087557
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESC=Cc1ccc(C2CCC(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C18H15ClO/c1-2-12-7-8-13(11-17(12)19)14-9-10-18(20)16-6-4-3-5-15(14)16/h2-8,11,14H,1,9-10H2
InChIKeyAHFFBHNWCYNASD-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one (CID 118087557) is 4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one is C=Cc1ccc(C2CCC(=O)c3ccccc32)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is AHFFBHNWCYNASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO/c1-2-12-7-8-13(11-17(12)19)14-9-10-18(20)16-6-4-3-5-15(14)16/h2-8,11,14H,1,9-10H2.
What are the key properties of 4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one?
4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 282.77 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 118087557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).