(2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate

C19H15O5- — CID 7575311

IUPAC(2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate
SMILESCc1ccc(-c2cc(=O)c3cc(O[C@H](C)C(=O)[O-])ccc3o2)cc1
InChIInChI=1S/C19H16O5/c1-11-3-5-13(6-4-11)18-10-16(20)15-9-14(7-8-17(15)24-18)23-12(2)19(21)22/h3-10,12H,1-2H3,(H,21,22)/p-1/t12-/m1/s1
InChIKeyWNZDEGFFAUPKKJ-GFCCVEGCSA-M
MW323.32 g/mol
LogP2.29
Rot. Bonds4

About (2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate

(2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate (PubChem CID 7575311) has the molecular formula C19H15O5- and a molecular weight of 323.32 g/mol. Its IUPAC name is (2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate.

Molecular Properties

Compound Name(2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate
PubChem CID7575311
Molecular FormulaC19H15O5-
Molecular Weight323.32 g/mol
Exact Mass323.09
IUPAC Name(2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate
SMILESCc1ccc(-c2cc(=O)c3cc(O[C@H](C)C(=O)[O-])ccc3o2)cc1
InChIInChI=1S/C19H16O5/c1-11-3-5-13(6-4-11)18-10-16(20)15-9-14(7-8-17(15)24-18)23-12(2)19(21)22/h3-10,12H,1-2H3,(H,21,22)/p-1/t12-/m1/s1
InChIKeyWNZDEGFFAUPKKJ-GFCCVEGCSA-M
XLogP2.29
TPSA79.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-methylphenoxy)propanoate
CID 6988515
(2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 6920592
cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate
CID 2978712
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
2-(4-aminophenyl)-6-methylchromen-4-one
CID 10999496
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
5-[(1R)-1-carboxylatoethoxy]-2-phenyl-1-benzofuran-3-carboxylate
CID 6923552
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
2-[4-(2-hydroxypropoxy)phenyl]-4-oxochromene-6-carboxylic acid
CID 21325009
N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)propanamide
CID 110274171
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate?
The IUPAC name of (2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate (CID 7575311) is (2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate.
What is the SMILES notation for (2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate?
The canonical SMILES for (2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate is Cc1ccc(-c2cc(=O)c3cc(O[C@H](C)C(=O)[O-])ccc3o2)cc1.
What is the InChIKey of (2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate?
The InChIKey is WNZDEGFFAUPKKJ-GFCCVEGCSA-M. The full InChI is InChI=1S/C19H16O5/c1-11-3-5-13(6-4-11)18-10-16(20)15-9-14(7-8-17(15)24-18)23-12(2)19(21)22/h3-10,12H,1-2H3,(H,21,22)/p-1/t12-/m1/s1.
What are the key properties of (2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate?
(2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate has a molecular weight of 323.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-methylphenyl)-4-oxochromen-6-yl]oxypropanoate is sourced from PubChem (CID 7575311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).