methyl 2-methyl-4H-chromene-3-carboxylate

C12H12O3 — CID 12506920

IUPACmethyl 2-methyl-4H-chromene-3-carboxylate
SMILESCOC(=O)C1=C(C)Oc2ccccc2C1
InChIInChI=1S/C12H12O3/c1-8-10(12(13)14-2)7-9-5-3-4-6-11(9)15-8/h3-6H,7H2,1-2H3
InChIKeyLHWAIRDJCPOJCZ-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.07
Rot. Bonds1

About methyl 2-methyl-4H-chromene-3-carboxylate

methyl 2-methyl-4H-chromene-3-carboxylate (PubChem CID 12506920) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is methyl 2-methyl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4H-chromene-3-carboxylate
PubChem CID12506920
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Namemethyl 2-methyl-4H-chromene-3-carboxylate
SMILESCOC(=O)C1=C(C)Oc2ccccc2C1
InChIInChI=1S/C12H12O3/c1-8-10(12(13)14-2)7-9-5-3-4-6-11(9)15-8/h3-6H,7H2,1-2H3
InChIKeyLHWAIRDJCPOJCZ-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 9H-xanthene-1-carboxylate
CID 66809757
methyl 2-methyl-1,4-benzodioxine-3-carboxylate
CID 10536259
2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-4H-chromene-3-carboxamide
CID 71866761
2-methyl-N-[3-[[(R)-methylsulfinyl]methyl]phenyl]-4H-chromene-3-carboxamide
CID 95928350
ethyl 9H-xanthene-1-carboxylate
CID 53405461
9H-xanthene
CID 7107
methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate
CID 102259179
ethyl 3-methyl-1,5-dihydro-2-benzoxepine-4-carboxylate
CID 102311170
2-methoxy-9H-xanthene-1-carboxylic acid
CID 69170212
sulfuric acid;9H-xanthene
CID 69337657
methyl (3R)-3-benzyl-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 135006357
4-methoxycarbonyl-2H-chromene-3-carboxylic acid
CID 169275789

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4H-chromene-3-carboxylate?
The IUPAC name of methyl 2-methyl-4H-chromene-3-carboxylate (CID 12506920) is methyl 2-methyl-4H-chromene-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4H-chromene-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4H-chromene-3-carboxylate is COC(=O)C1=C(C)Oc2ccccc2C1.
What is the InChIKey of methyl 2-methyl-4H-chromene-3-carboxylate?
The InChIKey is LHWAIRDJCPOJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-8-10(12(13)14-2)7-9-5-3-4-6-11(9)15-8/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-methyl-4H-chromene-3-carboxylate?
methyl 2-methyl-4H-chromene-3-carboxylate has a molecular weight of 204.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4H-chromene-3-carboxylate is sourced from PubChem (CID 12506920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).