7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one

C21H22ClNO4 — CID 18888558

IUPAC7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(CCCOc2ccccc2C)c2c(Cl)cccc21
InChIInChI=1S/C21H22ClNO4/c1-14-7-3-4-10-18(14)27-12-6-11-23-19-16(8-5-9-17(19)22)21(26,20(23)25)13-15(2)24/h3-5,7-10,26H,6,11-13H2,1-2H3
InChIKeyFFLAKXYVOQYCIV-UHFFFAOYSA-N
MW387.86 g/mol
LogP3.63
Rot. Bonds7

About 7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one

7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one (PubChem CID 18888558) has the molecular formula C21H22ClNO4 and a molecular weight of 387.86 g/mol. Its IUPAC name is 7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
PubChem CID18888558
Molecular FormulaC21H22ClNO4
Molecular Weight387.86 g/mol
Exact Mass387.12
IUPAC Name7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(CCCOc2ccccc2C)c2c(Cl)cccc21
InChIInChI=1S/C21H22ClNO4/c1-14-7-3-4-10-18(14)27-12-6-11-23-19-16(8-5-9-17(19)22)21(26,20(23)25)13-15(2)24/h3-5,7-10,26H,6,11-13H2,1-2H3
InChIKeyFFLAKXYVOQYCIV-UHFFFAOYSA-N
XLogP3.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one
CID 18888515
(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
CID 7444545
7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
CID 18888556
(3R)-1-butyl-3-hydroxy-7-methyl-3-(2-oxopropyl)indol-2-one
CID 41254776
3-hydroxy-7-methyl-1-nonyl-3-(2-oxopropyl)indol-2-one
CID 18888313
3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one
CID 6499622
(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444611
(3S)-1-[3-(2,4-dichlorophenoxy)propyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444610
6,7-dichloro-3-hydroxy-1-[3-(4-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 18888687
(3S)-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-(3-phenoxypropyl)indol-2-one
CID 41015525
4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 18888624
(3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444829

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?
The IUPAC name of 7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one (CID 18888558) is 7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for 7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for 7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one is CC(=O)CC1(O)C(=O)N(CCCOc2ccccc2C)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?
The InChIKey is FFLAKXYVOQYCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO4/c1-14-7-3-4-10-18(14)27-12-6-11-23-19-16(8-5-9-17(19)22)21(26,20(23)25)13-15(2)24/h3-5,7-10,26H,6,11-13H2,1-2H3.
What are the key properties of 7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?
7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one has a molecular weight of 387.86 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 18888558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).