1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone

C30H24Cl2O2 — CID 163933975

IUPAC1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone
SMILESCC(=O)c1c2c(cc3cc(Cl)ccc13)CC(c1ccc3cc4c(c(C(C)=O)c3c1Cl)CCC4)C2
InChIInChI=1S/C30H24Cl2O2/c1-15(33)27-24-9-7-22(31)13-20(24)11-19-12-21(14-26(19)27)25-8-6-18-10-17-4-3-5-23(17)28(16(2)34)29(18)30(25)32/h6-11,13,21H,3-5,12,14H2,1-2H3
InChIKeyRLCCHVWJRSYWRV-UHFFFAOYSA-N
MW487.43 g/mol
LogP8.08
Rot. Bonds3

About 1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone

1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone (PubChem CID 163933975) has the molecular formula C30H24Cl2O2 and a molecular weight of 487.43 g/mol. Its IUPAC name is 1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone
PubChem CID163933975
Molecular FormulaC30H24Cl2O2
Molecular Weight487.43 g/mol
Exact Mass486.12
IUPAC Name1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone
SMILESCC(=O)c1c2c(cc3cc(Cl)ccc13)CC(c1ccc3cc4c(c(C(C)=O)c3c1Cl)CCC4)C2
InChIInChI=1S/C30H24Cl2O2/c1-15(33)27-24-9-7-22(31)13-20(24)11-19-12-21(14-26(19)27)25-8-6-18-10-17-4-3-5-23(17)28(16(2)34)29(18)30(25)32/h6-11,13,21H,3-5,12,14H2,1-2H3
InChIKeyRLCCHVWJRSYWRV-UHFFFAOYSA-N
XLogP8.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone?
The IUPAC name of 1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone (CID 163933975) is 1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone.
What is the SMILES notation for 1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone?
The canonical SMILES for 1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone is CC(=O)c1c2c(cc3cc(Cl)ccc13)CC(c1ccc3cc4c(c(C(C)=O)c3c1Cl)CCC4)C2.
What is the InChIKey of 1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone?
The InChIKey is RLCCHVWJRSYWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2O2/c1-15(33)27-24-9-7-22(31)13-20(24)11-19-12-21(14-26(19)27)25-8-6-18-10-17-4-3-5-23(17)28(16(2)34)29(18)30(25)32/h6-11,13,21H,3-5,12,14H2,1-2H3.
What are the key properties of 1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone?
1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone has a molecular weight of 487.43 g/mol, XLogP of 8.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(9-acetyl-6-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-yl)-5-chloro-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone is sourced from PubChem (CID 163933975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).