methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate

C17H16O5 — CID 171048762

IUPACmethyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate
SMILESCOCOc1ccc2c(c1)-c1ccc(C(=O)OC)cc1OC2
InChIInChI=1S/C17H16O5/c1-19-10-22-13-5-3-12-9-21-16-7-11(17(18)20-2)4-6-14(16)15(12)8-13/h3-8H,9-10H2,1-2H3
InChIKeyZFRFRXCSSQGATO-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.02
Rot. Bonds4

About methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate

methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate (PubChem CID 171048762) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate
PubChem CID171048762
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Namemethyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate
SMILESCOCOc1ccc2c(c1)-c1ccc(C(=O)OC)cc1OC2
InChIInChI=1S/C17H16O5/c1-19-10-22-13-5-3-12-9-21-16-7-11(17(18)20-2)4-6-14(16)15(12)8-13/h3-8H,9-10H2,1-2H3
InChIKeyZFRFRXCSSQGATO-UHFFFAOYSA-N
XLogP3.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-oxo-2,3-dihydrochromene-7-carboxylate
CID 11769654
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CID 125471253
methyl (11E)-11-(2-pyrrolo[2,3-b]pyridin-1-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate
CID 15704217
methyl (11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-9-carboxylate
CID 10002467
methyl (2S)-2-[(9-bromo-6H-benzo[c]chromen-3-yl)oxy]propanoate
CID 168877488
methyl (11E)-11-[2-(4-phenylimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate
CID 10070861
methyl (11E)-11-(2-imidazol-1-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate
CID 11725166
(3-oxo-1-benzofuran-6-yl) 3,4-dimethoxybenzoate
CID 732048
methyl (3R)-3-(methoxymethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylate;sulfane
CID 161168898
(11E)-11-[2-(5-methoxycarbonylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 19088548
methyl 3-[[3-[[bis(4-methoxycyclohexa-1,3-dien-1-yl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate
CID 123895061
methyl (11E)-11-[2-(5-chlorobenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate?
The IUPAC name of methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate (CID 171048762) is methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate.
What is the SMILES notation for methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate?
The canonical SMILES for methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate is COCOc1ccc2c(c1)-c1ccc(C(=O)OC)cc1OC2.
What is the InChIKey of methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate?
The InChIKey is ZFRFRXCSSQGATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-19-10-22-13-5-3-12-9-21-16-7-11(17(18)20-2)4-6-14(16)15(12)8-13/h3-8H,9-10H2,1-2H3.
What are the key properties of methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate?
methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate is sourced from PubChem (CID 171048762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).