prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate

C14H10O5 — CID 170900330

IUPACprop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate
SMILESC#CCOC(=O)c1cc2ccc(OC)cc2oc1=O
InChIInChI=1S/C14H10O5/c1-3-6-18-13(15)11-7-9-4-5-10(17-2)8-12(9)19-14(11)16/h1,4-5,7-8H,6H2,2H3
InChIKeyZRIMBPQJAFCCDD-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.59
Rot. Bonds3

About prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate

prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate (PubChem CID 170900330) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Nameprop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate
PubChem CID170900330
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Nameprop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate
SMILESC#CCOC(=O)c1cc2ccc(OC)cc2oc1=O
InChIInChI=1S/C14H10O5/c1-3-6-18-13(15)11-7-9-4-5-10(17-2)8-12(9)19-14(11)16/h1,4-5,7-8H,6H2,2H3
InChIKeyZRIMBPQJAFCCDD-UHFFFAOYSA-N
XLogP1.59
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 11651849
2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 12073682
7-methoxy-3-prop-1-en-2-ylchromen-2-one
CID 24787160
ethyl 3-(7-methoxy-2-oxochromen-3-yl)-3-oxopropanoate
CID 91733252
ethyl 7-acetyloxy-2-oxochromene-3-carboxylate
CID 688600
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate
CID 121297931
ethyl 7-(3-chloropropoxy)-2-oxochromene-3-carboxylate
CID 168865434
ethyl 7-(3,4-dimethoxybenzoyl)oxy-2-oxochromene-3-carboxylate
CID 19181559
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one
CID 39161891
ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate
CID 19204595

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate?
The IUPAC name of prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate (CID 170900330) is prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate.
What is the SMILES notation for prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate?
The canonical SMILES for prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate is C#CCOC(=O)c1cc2ccc(OC)cc2oc1=O.
What is the InChIKey of prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate?
The InChIKey is ZRIMBPQJAFCCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c1-3-6-18-13(15)11-7-9-4-5-10(17-2)8-12(9)19-14(11)16/h1,4-5,7-8H,6H2,2H3.
What are the key properties of prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate?
prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate has a molecular weight of 258.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate is sourced from PubChem (CID 170900330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).