(7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

C24H24O6 — CID 7994556

IUPAC(7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESCCc1ccc2c(COC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc(=O)oc2c1
InChIInChI=1S/C24H24O6/c1-2-16-5-10-21-18(13-23(25)30-22(21)12-16)14-29-24(26)17-6-8-19(9-7-17)28-15-20-4-3-11-27-20/h5-10,12-13,20H,2-4,11,14-15H2,1H3/t20-/m1/s1
InChIKeySEFWNDDESQPQKJ-HXUWFJFHSA-N
MW408.45 g/mol
LogP4.27
Rot. Bonds7

About (7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

(7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (PubChem CID 7994556) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is (7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Name(7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
PubChem CID7994556
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name(7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESCCc1ccc2c(COC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc(=O)oc2c1
InChIInChI=1S/C24H24O6/c1-2-16-5-10-21-18(13-23(25)30-22(21)12-16)14-29-24(26)17-6-8-19(9-7-17)28-15-20-4-3-11-27-20/h5-10,12-13,20H,2-4,11,14-15H2,1H3/t20-/m1/s1
InChIKeySEFWNDDESQPQKJ-HXUWFJFHSA-N
XLogP4.27
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55323446
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 9139517
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
CID 46789081
(7-ethyl-2-oxochromen-4-yl)methyl 3-fluoro-4-methoxybenzoate
CID 8702528
(7-ethyl-2-oxochromen-4-yl)methyl pyridine-3-carboxylate
CID 9413628
(7-ethyl-2-oxochromen-4-yl)methyl 5-bromofuran-2-carboxylate
CID 8014134
(7-ethyl-2-oxochromen-4-yl)methyl 3-(difluoromethoxy)benzoate
CID 7985274
(7-ethyl-2-oxochromen-4-yl)methyl adamantane-1-carboxylate
CID 7867041
(7-ethyl-2-oxochromen-4-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 8911848
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 18091511
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
(7-hydroxy-2-oxochromen-4-yl)methyl 4-(propan-2-yloxymethyl)benzoate
CID 8985800

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (CID 7994556) is (7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.
What is the SMILES notation for (7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The canonical SMILES for (7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is CCc1ccc2c(COC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc(=O)oc2c1.
What is the InChIKey of (7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The InChIKey is SEFWNDDESQPQKJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24O6/c1-2-16-5-10-21-18(13-23(25)30-22(21)12-16)14-29-24(26)17-6-8-19(9-7-17)28-15-20-4-3-11-27-20/h5-10,12-13,20H,2-4,11,14-15H2,1H3/t20-/m1/s1.
What are the key properties of (7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
(7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate has a molecular weight of 408.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is sourced from PubChem (CID 7994556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).