4-chloro-8aH-naphthalen-1-one

C10H7ClO — CID 91543564

IUPAC4-chloro-8aH-naphthalen-1-one
SMILESO=C1C=CC(Cl)=C2C=CC=CC12
InChIInChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,8H
InChIKeyLMIHPGXZANTTHS-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.36
Rot. Bonds

About 4-chloro-8aH-naphthalen-1-one

4-chloro-8aH-naphthalen-1-one (PubChem CID 91543564) has the molecular formula C10H7ClO and a molecular weight of 178.62 g/mol. Its IUPAC name is 4-chloro-8aH-naphthalen-1-one.

Molecular Properties

Compound Name4-chloro-8aH-naphthalen-1-one
PubChem CID91543564
Molecular FormulaC10H7ClO
Molecular Weight178.62 g/mol
Exact Mass178.02
IUPAC Name4-chloro-8aH-naphthalen-1-one
SMILESO=C1C=CC(Cl)=C2C=CC=CC12
InChIInChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,8H
InChIKeyLMIHPGXZANTTHS-UHFFFAOYSA-N
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-methyl-8aH-phthalazin-1-one
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3-[4-(3-oxo-3aH-2-benzofuran-1-yl)phenyl]-7aH-2-benzofuran-1-one
CID 141369009
1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one
CID 70626456
CID 72824698
CID 72824698
(6R)-6-hydroxycyclohexa-2,4-dien-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8aH-naphthalen-1-one?
The IUPAC name of 4-chloro-8aH-naphthalen-1-one (CID 91543564) is 4-chloro-8aH-naphthalen-1-one.
What is the SMILES notation for 4-chloro-8aH-naphthalen-1-one?
The canonical SMILES for 4-chloro-8aH-naphthalen-1-one is O=C1C=CC(Cl)=C2C=CC=CC12.
What is the InChIKey of 4-chloro-8aH-naphthalen-1-one?
The InChIKey is LMIHPGXZANTTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,8H.
What are the key properties of 4-chloro-8aH-naphthalen-1-one?
4-chloro-8aH-naphthalen-1-one has a molecular weight of 178.62 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8aH-naphthalen-1-one is sourced from PubChem (CID 91543564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).