6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one

C10H9ClO2 — CID 131529370

IUPAC6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(Cl)c(O)cc2C1
InChIInChI=1S/C10H9ClO2/c11-9-4-6-1-2-8(12)3-7(6)5-10(9)13/h4-5,13H,1-3H2
InChIKeyWFCYPHSMISJPII-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.10
Rot. Bonds

About 6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one

6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 131529370) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID131529370
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(Cl)c(O)cc2C1
InChIInChI=1S/C10H9ClO2/c11-9-4-6-1-2-8(12)3-7(6)5-10(9)13/h4-5,13H,1-3H2
InChIKeyWFCYPHSMISJPII-UHFFFAOYSA-N
XLogP2.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131399948
7-chloro-3,4-dihydro-1H-naphthalen-2-one
CID 4065216
7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131542137
7-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 84659348
6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one
CID 158261161
6-chloro-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-5-ol
CID 11573628
2-bromo-6-chloro-3,4-dihydro-1H-isoquinolin-7-ol
CID 58602718
6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one
CID 154230335
1-(7-chloro-8-hydroxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 90862118
6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 77230927
5-chloro-7-hydroxy-2,3-dihydroinden-1-one
CID 127255743
2,3-dihydro-1H-indene-5,6-diol
CID 13058959

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one (CID 131529370) is 6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2cc(Cl)c(O)cc2C1.
What is the InChIKey of 6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is WFCYPHSMISJPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c11-9-4-6-1-2-8(12)3-7(6)5-10(9)13/h4-5,13H,1-3H2.
What are the key properties of 6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 196.63 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 131529370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).