(3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one

C23H27NO3 — CID 46919880

IUPAC(3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one
SMILESCOc1ccc2c(c1C)NC(=O)[C@]2(c1ccc(O)cc1)C1CCCCCC1
InChIInChI=1S/C23H27NO3/c1-15-20(27-2)14-13-19-21(15)24-22(26)23(19,16-7-5-3-4-6-8-16)17-9-11-18(25)12-10-17/h9-14,16,25H,3-8H2,1-2H3,(H,24,26)/t23-/m0/s1
InChIKeyJLWDEIVDLTXBGE-QHCPKHFHSA-N
MW365.47 g/mol
LogP4.92
Rot. Bonds3

About (3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one

(3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one (PubChem CID 46919880) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one
PubChem CID46919880
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one
SMILESCOc1ccc2c(c1C)NC(=O)[C@]2(c1ccc(O)cc1)C1CCCCCC1
InChIInChI=1S/C23H27NO3/c1-15-20(27-2)14-13-19-21(15)24-22(26)23(19,16-7-5-3-4-6-8-16)17-9-11-18(25)12-10-17/h9-14,16,25H,3-8H2,1-2H3,(H,24,26)/t23-/m0/s1
InChIKeyJLWDEIVDLTXBGE-QHCPKHFHSA-N
XLogP4.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one?
The IUPAC name of (3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one (CID 46919880) is (3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one.
What is the SMILES notation for (3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one?
The canonical SMILES for (3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one is COc1ccc2c(c1C)NC(=O)[C@]2(c1ccc(O)cc1)C1CCCCCC1.
What is the InChIKey of (3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one?
The InChIKey is JLWDEIVDLTXBGE-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27NO3/c1-15-20(27-2)14-13-19-21(15)24-22(26)23(19,16-7-5-3-4-6-8-16)17-9-11-18(25)12-10-17/h9-14,16,25H,3-8H2,1-2H3,(H,24,26)/t23-/m0/s1.
What are the key properties of (3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one?
(3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one has a molecular weight of 365.47 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one is sourced from PubChem (CID 46919880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).