methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate

C18H15ClO4 — CID 70895512

IUPACmethyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1c(Cl)cccc1OC)=CCO2
InChIInChI=1S/C18H15ClO4/c1-21-16-5-3-4-14(19)17(16)12-8-9-23-15-7-6-11(10-13(12)15)18(20)22-2/h3-8,10H,9H2,1-2H3
InChIKeyXDEGDAORLKQSTI-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.96
Rot. Bonds3

About methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate

methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate (PubChem CID 70895512) has the molecular formula C18H15ClO4 and a molecular weight of 330.77 g/mol. Its IUPAC name is methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate
PubChem CID70895512
Molecular FormulaC18H15ClO4
Molecular Weight330.77 g/mol
Exact Mass330.07
IUPAC Namemethyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1c(Cl)cccc1OC)=CCO2
InChIInChI=1S/C18H15ClO4/c1-21-16-5-3-4-14(19)17(16)12-8-9-23-15-7-6-11(10-13(12)15)18(20)22-2/h3-8,10H,9H2,1-2H3
InChIKeyXDEGDAORLKQSTI-UHFFFAOYSA-N
XLogP3.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3,5-difluorophenyl)-2H-chromene-6-carboxylate
CID 58406748
methyl 4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylate
CID 58407399
N-(diaminomethylidene)-4-(2-methoxyphenyl)-2H-chromene-6-carboxamide
CID 58407485
methyl 5-phenyl-2,3-dihydro-1-benzoxepine-7-carboxylate
CID 58406511
methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate
CID 166162954
methyl 4-[[4-(2,6-dimethoxyphenyl)phenyl]diazenyl]benzoate
CID 177445154
N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide
CID 25190262
methyl 4-(2,6-difluorophenyl)-2,2-dimethylchromene-6-carboxylate
CID 58406516
methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate
CID 131879057
4-(2-chloro-5-methoxycarbonylphenyl)-3-methoxybenzoic acid
CID 53228447
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
methyl 4-methoxy-3-phenylbenzoate
CID 11010121

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate?
The IUPAC name of methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate (CID 70895512) is methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate.
What is the SMILES notation for methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate?
The canonical SMILES for methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate is COC(=O)c1ccc2c(c1)C(c1c(Cl)cccc1OC)=CCO2.
What is the InChIKey of methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate?
The InChIKey is XDEGDAORLKQSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO4/c1-21-16-5-3-4-14(19)17(16)12-8-9-23-15-7-6-11(10-13(12)15)18(20)22-2/h3-8,10H,9H2,1-2H3.
What are the key properties of methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate?
methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate has a molecular weight of 330.77 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chloro-6-methoxyphenyl)-2H-chromene-6-carboxylate is sourced from PubChem (CID 70895512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).