6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one

C19H13ClO — CID 118369172

IUPAC6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one
SMILESO=C1CCc2cc3cc(Cl)ccc3c(-c3ccccc3)c21
InChIInChI=1S/C19H13ClO/c20-15-7-8-16-14(11-15)10-13-6-9-17(21)19(13)18(16)12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2
InChIKeyJRPVADDVFFEKOV-UHFFFAOYSA-N
MW292.77 g/mol
LogP5.29
Rot. Bonds1

About 6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one

6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one (PubChem CID 118369172) has the molecular formula C19H13ClO and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one.

Molecular Properties

Compound Name6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one
PubChem CID118369172
Molecular FormulaC19H13ClO
Molecular Weight292.77 g/mol
Exact Mass292.07
IUPAC Name6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one
SMILESO=C1CCc2cc3cc(Cl)ccc3c(-c3ccccc3)c21
InChIInChI=1S/C19H13ClO/c20-15-7-8-16-14(11-15)10-13-6-9-17(21)19(13)18(16)12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2
InChIKeyJRPVADDVFFEKOV-UHFFFAOYSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.77
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 22292346
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CID 12931129
4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one
CID 15686138
2-chloro-10,11-dihydrobenzo[b][1]benzothiocin-12-one
CID 12594399
(2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one
CID 177409114
2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 2566475
5-chloro-7-hydroxy-2,3-dihydroinden-1-one
CID 127255743
7-chloro-3,4-dihydro-2H-anthracen-1-one
CID 174638642
1,6-dichloro-3,4-diphenylisoquinoline
CID 102204844
(2Z)-7-chloro-2-[(4-chlorophenyl)methylidene]-9-phenyl-3,4-dihydroacridin-1-one
CID 177429085
1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione
CID 118516621

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one?
The IUPAC name of 6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one (CID 118369172) is 6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one.
What is the SMILES notation for 6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one?
The canonical SMILES for 6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one is O=C1CCc2cc3cc(Cl)ccc3c(-c3ccccc3)c21.
What is the InChIKey of 6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one?
The InChIKey is JRPVADDVFFEKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClO/c20-15-7-8-16-14(11-15)10-13-6-9-17(21)19(13)18(16)12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2.
What are the key properties of 6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one?
6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one has a molecular weight of 292.77 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-phenyl-2,3-dihydrocyclopenta[b]naphthalen-1-one is sourced from PubChem (CID 118369172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).