(3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one

C28H23NO6 — CID 1308105

IUPAC(3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESCOc1cccc2cc(C(=O)C[C@]3(O)C(=O)N(CCc4ccccc4)c4ccccc43)c(=O)oc12
InChIInChI=1S/C28H23NO6/c1-34-24-13-7-10-19-16-20(26(31)35-25(19)24)23(30)17-28(33)21-11-5-6-12-22(21)29(27(28)32)15-14-18-8-3-2-4-9-18/h2-13,16,33H,14-15,17H2,1H3/t28-/m1/s1
InChIKeyQFLBTVVHOHGXNK-MUUNZHRXSA-N
MW469.49 g/mol
LogP3.85
Rot. Bonds7

About (3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one

(3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (PubChem CID 1308105) has the molecular formula C28H23NO6 and a molecular weight of 469.49 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
PubChem CID1308105
Molecular FormulaC28H23NO6
Molecular Weight469.49 g/mol
Exact Mass469.15
IUPAC Name(3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESCOc1cccc2cc(C(=O)C[C@]3(O)C(=O)N(CCc4ccccc4)c4ccccc43)c(=O)oc12
InChIInChI=1S/C28H23NO6/c1-34-24-13-7-10-19-16-20(26(31)35-25(19)24)23(30)17-28(33)21-11-5-6-12-22(21)29(27(28)32)15-14-18-8-3-2-4-9-18/h2-13,16,33H,14-15,17H2,1H3/t28-/m1/s1
InChIKeyQFLBTVVHOHGXNK-MUUNZHRXSA-N
XLogP3.85
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909744
(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162526
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 2910365
(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1320074
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 3399275
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 3486846
(3R)-5-chloro-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 40875569
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 45259112
3-hydroxy-1-(2-methylpropyl)-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]indol-2-one
CID 172646021
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 3696835
3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-(2-phenylethyl)indol-2-one
CID 2928474

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (CID 1308105) is (3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is COc1cccc2cc(C(=O)C[C@]3(O)C(=O)N(CCc4ccccc4)c4ccccc43)c(=O)oc12.
What is the InChIKey of (3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The InChIKey is QFLBTVVHOHGXNK-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H23NO6/c1-34-24-13-7-10-19-16-20(26(31)35-25(19)24)23(30)17-28(33)21-11-5-6-12-22(21)29(27(28)32)15-14-18-8-3-2-4-9-18/h2-13,16,33H,14-15,17H2,1H3/t28-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
(3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one has a molecular weight of 469.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 1308105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).