(Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal

C15H12Cl2O3 — CID 89014768

IUPAC(Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal
SMILESCOc1c(Cl)c(/C=C(\Cl)C=O)c(OC)c2ccccc12
InChIInChI=1S/C15H12Cl2O3/c1-19-14-10-5-3-4-6-11(10)15(20-2)13(17)12(14)7-9(16)8-18/h3-8H,1-2H3/b9-7-
InChIKeyYMMJJROSXTVCJV-CLFYSBASSA-N
MW311.16 g/mol
LogP4.29
Rot. Bonds4

About (Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal

(Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal (PubChem CID 89014768) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal
PubChem CID89014768
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal
SMILESCOc1c(Cl)c(/C=C(\Cl)C=O)c(OC)c2ccccc12
InChIInChI=1S/C15H12Cl2O3/c1-19-14-10-5-3-4-6-11(10)15(20-2)13(17)12(14)7-9(16)8-18/h3-8H,1-2H3/b9-7-
InChIKeyYMMJJROSXTVCJV-CLFYSBASSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal 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 (Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal?
The IUPAC name of (Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal (CID 89014768) is (Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal.
What is the SMILES notation for (Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal?
The canonical SMILES for (Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal is COc1c(Cl)c(/C=C(\Cl)C=O)c(OC)c2ccccc12.
What is the InChIKey of (Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal?
The InChIKey is YMMJJROSXTVCJV-CLFYSBASSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-14-10-5-3-4-6-11(10)15(20-2)13(17)12(14)7-9(16)8-18/h3-8H,1-2H3/b9-7-.
What are the key properties of (Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal?
(Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal has a molecular weight of 311.16 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal is sourced from PubChem (CID 89014768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).