7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one

C19H18O4 — CID 172878951

IUPAC7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one
SMILESCOC[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H18O4/c1-13(12-21-2)22-15-8-9-16-17(14-6-4-3-5-7-14)11-19(20)23-18(16)10-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyNMSWRLJOAKVPPJ-CYBMUJFWSA-N
MW310.35 g/mol
LogP3.87
Rot. Bonds5

About 7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one

7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one (PubChem CID 172878951) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one
PubChem CID172878951
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one
SMILESCOC[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H18O4/c1-13(12-21-2)22-15-8-9-16-17(14-6-4-3-5-7-14)11-19(20)23-18(16)10-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyNMSWRLJOAKVPPJ-CYBMUJFWSA-N
XLogP3.87
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
CID 167497899
7-[(2R)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325271
7-ethoxy-4-phenylchromen-2-one
CID 678937
propan-2-yl 2-(2-oxo-4-phenylchromen-7-yl)oxybutanoate
CID 23878292
(2S)-N-(3-hydroxypropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7095334
ethyl (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetate
CID 2277249
ethane;7-(1-methoxybutan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
CID 167497978
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
(2R)-3-methyl-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 75490946
2-[[2-[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235111
2-[[2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235109
(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 8015794

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one?
The IUPAC name of 7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one (CID 172878951) is 7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one.
What is the SMILES notation for 7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one?
The canonical SMILES for 7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one is COC[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one?
The InChIKey is NMSWRLJOAKVPPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18O4/c1-13(12-21-2)22-15-8-9-16-17(14-6-4-3-5-7-14)11-19(20)23-18(16)10-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one?
7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one has a molecular weight of 310.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one is sourced from PubChem (CID 172878951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).