7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one

C10H9ClO2 — CID 131542137

IUPAC7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(O)cc(Cl)cc2C1
InChIInChI=1S/C10H9ClO2/c11-7-3-6-4-8(12)1-2-9(6)10(13)5-7/h3,5,13H,1-2,4H2
InChIKeyXUTBEAJYOYDKHI-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.10
Rot. Bonds

About 7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one

7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 131542137) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID131542137
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(O)cc(Cl)cc2C1
InChIInChI=1S/C10H9ClO2/c11-7-3-6-4-8(12)1-2-9(6)10(13)5-7/h3,5,13H,1-2,4H2
InChIKeyXUTBEAJYOYDKHI-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

5-chloro-7-hydroxy-2,3-dihydroinden-1-one
CID 127255743
6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131529370
7-chloro-3,4-dihydro-1H-naphthalen-2-one
CID 4065216
6-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 84659358
6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131343881
6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131399948
4-chloro-7-hydroxy-2,3-dihydroinden-1-one
CID 12857254
6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one
CID 154230335
5,7-dichloro-2,3-dihydroinden-1-one
CID 22292346
5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131392956
6-chloro-3-oxo-1,2-dihydroindene-4-carbonitrile
CID 55295556
3-chloro-9-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 86197835

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one (CID 131542137) is 7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2c(O)cc(Cl)cc2C1.
What is the InChIKey of 7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is XUTBEAJYOYDKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c11-7-3-6-4-8(12)1-2-9(6)10(13)5-7/h3,5,13H,1-2,4H2.
What are the key properties of 7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
7-chloro-5-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 7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 131542137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).