methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate

C18H14Cl2O3 — CID 58407399

IUPACmethyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1c(Cl)cccc1Cl)=CC(C)O2
InChIInChI=1S/C18H14Cl2O3/c1-10-8-13(17-14(19)4-3-5-15(17)20)12-9-11(18(21)22-2)6-7-16(12)23-10/h3-10H,1-2H3
InChIKeyINRQUFMIAGGPPH-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.99
Rot. Bonds2

About methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate

methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate (PubChem CID 58407399) has the molecular formula C18H14Cl2O3 and a molecular weight of 349.21 g/mol. Its IUPAC name is methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate
PubChem CID58407399
Molecular FormulaC18H14Cl2O3
Molecular Weight349.21 g/mol
Exact Mass348.03
IUPAC Namemethyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1c(Cl)cccc1Cl)=CC(C)O2
InChIInChI=1S/C18H14Cl2O3/c1-10-8-13(17-14(19)4-3-5-15(17)20)12-9-11(18(21)22-2)6-7-16(12)23-10/h3-10H,1-2H3
InChIKeyINRQUFMIAGGPPH-UHFFFAOYSA-N
XLogP4.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate
CID 58406932
methyl 4-(2-iodo-3-pyridinyl)-2-methyl-2H-chromene-6-carboxylate
CID 88911398
methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate
CID 70895512
methyl 4-(4,6-difluorocyclohexa-1,3-dien-1-yl)-2-methyl-2H-chromene-6-carboxylate
CID 163448560
methyl 2-methyl-4-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-2H-chromene-6-carboxylate
CID 143762527
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
methyl 4-(2,6-difluorophenyl)-2,2-dimethylchromene-6-carboxylate
CID 58406516
methyl 2-methyl-3,3-dioxo-1,3lambda6-benzoxathiole-5-carboxylate
CID 19354750
methyl (2S,3R)-2,3-dichloro-2,3-dihydro-1-benzofuran-6-carboxylate
CID 131724883
methyl 2,3-dichloro-2,3-dihydro-1-benzofuran-6-carboxylate
CID 22481669
N-(diaminomethylidene)-4-(2-fluoro-5-methoxyphenyl)-2-methyl-2H-chromene-6-carboxamide
CID 58407247
4-(3,4-difluorophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58406680

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate?
The IUPAC name of methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate (CID 58407399) is methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate.
What is the SMILES notation for methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate?
The canonical SMILES for methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate is COC(=O)c1ccc2c(c1)C(c1c(Cl)cccc1Cl)=CC(C)O2.
What is the InChIKey of methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate?
The InChIKey is INRQUFMIAGGPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2O3/c1-10-8-13(17-14(19)4-3-5-15(17)20)12-9-11(18(21)22-2)6-7-16(12)23-10/h3-10H,1-2H3.
What are the key properties of methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate?
methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate has a molecular weight of 349.21 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate is sourced from PubChem (CID 58407399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).