4-chloro-1,2-dihydroacenaphthylene

C12H9Cl — CID 524304

IUPAC4-chloro-1,2-dihydroacenaphthylene
SMILESClc1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C12H9Cl/c13-11-6-9-3-1-2-8-4-5-10(7-11)12(8)9/h1-3,6-7H,4-5H2
InChIKeyKSHDGCNPYAORHX-UHFFFAOYSA-N
MW188.66 g/mol
LogP3.59
Rot. Bonds

About 4-chloro-1,2-dihydroacenaphthylene

4-chloro-1,2-dihydroacenaphthylene (PubChem CID 524304) has the molecular formula C12H9Cl and a molecular weight of 188.66 g/mol. Its IUPAC name is 4-chloro-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name4-chloro-1,2-dihydroacenaphthylene
PubChem CID524304
Molecular FormulaC12H9Cl
Molecular Weight188.66 g/mol
Exact Mass188.04
IUPAC Name4-chloro-1,2-dihydroacenaphthylene
SMILESClc1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C12H9Cl/c13-11-6-9-3-1-2-8-4-5-10(7-11)12(8)9/h1-3,6-7H,4-5H2
InChIKeyKSHDGCNPYAORHX-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,2-dihydroacenaphthylene?
The IUPAC name of 4-chloro-1,2-dihydroacenaphthylene (CID 524304) is 4-chloro-1,2-dihydroacenaphthylene.
What is the SMILES notation for 4-chloro-1,2-dihydroacenaphthylene?
The canonical SMILES for 4-chloro-1,2-dihydroacenaphthylene is Clc1cc2c3c(cccc3c1)CC2.
What is the InChIKey of 4-chloro-1,2-dihydroacenaphthylene?
The InChIKey is KSHDGCNPYAORHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl/c13-11-6-9-3-1-2-8-4-5-10(7-11)12(8)9/h1-3,6-7H,4-5H2.
What are the key properties of 4-chloro-1,2-dihydroacenaphthylene?
4-chloro-1,2-dihydroacenaphthylene has a molecular weight of 188.66 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,2-dihydroacenaphthylene is sourced from PubChem (CID 524304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).