2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate

C18H20O5 — CID 21251863

IUPAC2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc2c(C)c(C)c(=O)oc2c1C
InChIInChI=1S/C18H20O5/c1-10(2)17(19)22-9-8-21-15-7-6-14-11(3)12(4)18(20)23-16(14)13(15)5/h6-7H,1,8-9H2,2-5H3
InChIKeyVREHXRKCMRIGAO-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.22
Rot. Bonds5

About 2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate

2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate (PubChem CID 21251863) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate
PubChem CID21251863
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc2c(C)c(C)c(=O)oc2c1C
InChIInChI=1S/C18H20O5/c1-10(2)17(19)22-9-8-21-15-7-6-14-11(3)12(4)18(20)23-16(14)13(15)5/h6-7H,1,8-9H2,2-5H3
InChIKeyVREHXRKCMRIGAO-UHFFFAOYSA-N
XLogP3.22
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
CID 151897080
3-[6-fluoro-4-methyl-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]propyl 2-methylprop-2-enoate
CID 170033763
tert-butyl N-[3-(3,4,8-trimethyl-2-oxochromen-7-yl)oxypropyl]carbamate
CID 54461269
3-butyl-4,8-dimethyl-7-(2-oxopropoxy)chromen-2-one
CID 4575609
7-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]-3,4,8-trimethylchromen-2-one
CID 11496413
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3,4,8-trimethylchromen-2-one
CID 983934
ethyl 3-[7-(2-amino-2-oxoethoxy)-4,8-dimethyl-2-oxochromen-3-yl]propanoate
CID 907650
ethyl 3-[4,8-dimethyl-7-(3-methylbut-2-enoxy)-2-oxochromen-3-yl]propanoate
CID 1298171
7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one
CID 800958
2-[2-(2-hydroxyethoxy)-5-(4-methylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134200412
methyl 2-(7-ethoxy-4,8-dimethyl-2-oxochromen-3-yl)acetate
CID 907353
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
CID 51059911

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate (CID 21251863) is 2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1ccc2c(C)c(C)c(=O)oc2c1C.
What is the InChIKey of 2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate?
The InChIKey is VREHXRKCMRIGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-10(2)17(19)22-9-8-21-15-7-6-14-11(3)12(4)18(20)23-16(14)13(15)5/h6-7H,1,8-9H2,2-5H3.
What are the key properties of 2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate?
2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate has a molecular weight of 316.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 21251863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).