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

C10H9ClO — CID 4065216

IUPAC7-chloro-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C10H9ClO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2
InChIKeyCSIHHNSBJNDXNO-UHFFFAOYSA-N
MW180.63 g/mol
LogP2.40
Rot. Bonds

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

7-chloro-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 4065216) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 7-chloro-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name7-chloro-3,4-dihydro-1H-naphthalen-2-one
PubChem CID4065216
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name7-chloro-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C10H9ClO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2
InChIKeyCSIHHNSBJNDXNO-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 7-chloro-3,4-dihydro-1H-naphthalen-2-one (CID 4065216) is 7-chloro-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 7-chloro-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 7-chloro-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2ccc(Cl)cc2C1.
What is the InChIKey of 7-chloro-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is CSIHHNSBJNDXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2.
What are the key properties of 7-chloro-3,4-dihydro-1H-naphthalen-2-one?
7-chloro-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 180.63 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 4065216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).