3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate

C19H18O7 — CID 118521700

IUPAC3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc2c(COC(=O)C=C)cc(=O)oc2c1
InChIInChI=1S/C19H18O7/c1-3-17(20)24-9-5-8-23-14-6-7-15-13(12-25-18(21)4-2)10-19(22)26-16(15)11-14/h3-4,6-7,10-11H,1-2,5,8-9,12H2
InChIKeyRUTRJQYXZXCMKR-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.52
Rot. Bonds9

About 3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate

3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate (PubChem CID 118521700) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate.

Molecular Properties

Compound Name3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate
PubChem CID118521700
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc2c(COC(=O)C=C)cc(=O)oc2c1
InChIInChI=1S/C19H18O7/c1-3-17(20)24-9-5-8-23-14-6-7-15-13(12-25-18(21)4-2)10-19(22)26-16(15)11-14/h3-4,6-7,10-11H,1-2,5,8-9,12H2
InChIKeyRUTRJQYXZXCMKR-UHFFFAOYSA-N
XLogP2.52
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methyl-2-oxochromen-7-yl)oxypropyl prop-2-enoate
CID 166523791
7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one
CID 88940715
butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622
2-[7-(2-hydroxyethoxy)-2-oxochromen-4-yl]acetic acid
CID 90350628
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090
(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 3991487
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate
CID 10565549
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate?
The IUPAC name of 3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate (CID 118521700) is 3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate.
What is the SMILES notation for 3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate?
The canonical SMILES for 3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate is C=CC(=O)OCCCOc1ccc2c(COC(=O)C=C)cc(=O)oc2c1.
What is the InChIKey of 3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate?
The InChIKey is RUTRJQYXZXCMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-3-17(20)24-9-5-8-23-14-6-7-15-13(12-25-18(21)4-2)10-19(22)26-16(15)11-14/h3-4,6-7,10-11H,1-2,5,8-9,12H2.
What are the key properties of 3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate?
3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate has a molecular weight of 358.35 g/mol, XLogP of 2.52, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-4-(prop-2-enoyloxymethyl)chromen-7-yl]oxypropyl prop-2-enoate is sourced from PubChem (CID 118521700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).