methyl 2H-chromene-7-carboxylate

C11H10O3 — CID 22313309

IUPACmethyl 2H-chromene-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)OCC=C2
InChIInChI=1S/C11H10O3/c1-13-11(12)9-5-4-8-3-2-6-14-10(8)7-9/h2-5,7H,6H2,1H3
InChIKeyBFQHHWVAIRSJOH-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.88
Rot. Bonds1

About methyl 2H-chromene-7-carboxylate

methyl 2H-chromene-7-carboxylate (PubChem CID 22313309) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2H-chromene-7-carboxylate.

Molecular Properties

Compound Namemethyl 2H-chromene-7-carboxylate
PubChem CID22313309
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Namemethyl 2H-chromene-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)OCC=C2
InChIInChI=1S/C11H10O3/c1-13-11(12)9-5-4-8-3-2-6-14-10(8)7-9/h2-5,7H,6H2,1H3
InChIKeyBFQHHWVAIRSJOH-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1,2-dihydroquinoline-6-carboxylate
CID 141126799
methyl 4-oxo-2,3-dihydrochromene-7-carboxylate
CID 11769654
methyl 3,3-dimethyl-2H-1-benzofuran-5-carboxylate
CID 118098434
methyl 3-(3,5-ditert-butyl-4-methoxyphenyl)-2H-chromene-7-carboxylate
CID 67645384
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate
CID 141037893
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
methyl 4-(3,5-difluorophenyl)-2H-chromene-6-carboxylate
CID 58406748
methyl (5S)-5-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylate
CID 155904773
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2584345
methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate
CID 22944033

Frequently Asked Questions

What is the IUPAC name of methyl 2H-chromene-7-carboxylate?
The IUPAC name of methyl 2H-chromene-7-carboxylate (CID 22313309) is methyl 2H-chromene-7-carboxylate.
What is the SMILES notation for methyl 2H-chromene-7-carboxylate?
The canonical SMILES for methyl 2H-chromene-7-carboxylate is COC(=O)c1ccc2c(c1)OCC=C2.
What is the InChIKey of methyl 2H-chromene-7-carboxylate?
The InChIKey is BFQHHWVAIRSJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-13-11(12)9-5-4-8-3-2-6-14-10(8)7-9/h2-5,7H,6H2,1H3.
What are the key properties of methyl 2H-chromene-7-carboxylate?
methyl 2H-chromene-7-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2H-chromene-7-carboxylate is sourced from PubChem (CID 22313309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).