7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one

C35H35NO6 — CID 67050427

IUPAC7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one
SMILESCC(C)C(N)[C@@H](O)COc1ccc2c(=O)cc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)oc2c1
InChIInChI=1S/C35H35NO6/c1-23(2)35(36)32(38)22-41-27-13-14-30-31(37)19-33(42-34(30)18-27)26-15-28(39-20-24-9-5-3-6-10-24)17-29(16-26)40-21-25-11-7-4-8-12-25/h3-19,23,32,35,38H,20-22,36H2,1-2H3/t32-,35?/m0/s1
InChIKeyBTLFQZNWNZFEAU-GYXLRUHFSA-N
MW565.67 g/mol
LogP6.34
Rot. Bonds12

About 7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one

7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one (PubChem CID 67050427) has the molecular formula C35H35NO6 and a molecular weight of 565.67 g/mol. Its IUPAC name is 7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one
PubChem CID67050427
Molecular FormulaC35H35NO6
Molecular Weight565.67 g/mol
Exact Mass565.25
IUPAC Name7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one
SMILESCC(C)C(N)[C@@H](O)COc1ccc2c(=O)cc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)oc2c1
InChIInChI=1S/C35H35NO6/c1-23(2)35(36)32(38)22-41-27-13-14-30-31(37)19-33(42-34(30)18-27)26-15-28(39-20-24-9-5-3-6-10-24)17-29(16-26)40-21-25-11-7-4-8-12-25/h3-19,23,32,35,38H,20-22,36H2,1-2H3/t32-,35?/m0/s1
InChIKeyBTLFQZNWNZFEAU-GYXLRUHFSA-N
XLogP6.34
TPSA104.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.67
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
CID 139217483
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride
CID 14626307
[1-(4-oxo-2-phenylchromen-7-yl)oxy-3-(propan-2-ylamino)propan-2-yl] benzoate
CID 14373562
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one
CID 10863568
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one
CID 59527462
ethyl (2R)-2-(4-oxo-2-phenylchromen-7-yl)oxybutanoate
CID 102074481
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one?
The IUPAC name of 7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one (CID 67050427) is 7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one.
What is the SMILES notation for 7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one?
The canonical SMILES for 7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one is CC(C)C(N)[C@@H](O)COc1ccc2c(=O)cc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)oc2c1.
What is the InChIKey of 7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one?
The InChIKey is BTLFQZNWNZFEAU-GYXLRUHFSA-N. The full InChI is InChI=1S/C35H35NO6/c1-23(2)35(36)32(38)22-41-27-13-14-30-31(37)19-33(42-34(30)18-27)26-15-28(39-20-24-9-5-3-6-10-24)17-29(16-26)40-21-25-11-7-4-8-12-25/h3-19,23,32,35,38H,20-22,36H2,1-2H3/t32-,35?/m0/s1.
What are the key properties of 7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one?
7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one has a molecular weight of 565.67 g/mol, XLogP of 6.34, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one is sourced from PubChem (CID 67050427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).