5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol

C23H27ClN2O3 — CID 91040837

IUPAC5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
SMILESCOc1ccc(-n2cc3cc(Cl)ccc3c2O)cc1OCCN1CCC(C)CC1
InChIInChI=1S/C23H27ClN2O3/c1-16-7-9-25(10-8-16)11-12-29-22-14-19(4-6-21(22)28-2)26-15-17-13-18(24)3-5-20(17)23(26)27/h3-6,13-16,27H,7-12H2,1-2H3
InChIKeyYTERABQHVVBFNH-UHFFFAOYSA-N
MW414.93 g/mol
LogP5.11
Rot. Bonds6

About 5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol

5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol (PubChem CID 91040837) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol.

Molecular Properties

Compound Name5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
PubChem CID91040837
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
SMILESCOc1ccc(-n2cc3cc(Cl)ccc3c2O)cc1OCCN1CCC(C)CC1
InChIInChI=1S/C23H27ClN2O3/c1-16-7-9-25(10-8-16)11-12-29-22-14-19(4-6-21(22)28-2)26-15-17-13-18(24)3-5-20(17)23(26)27/h3-6,13-16,27H,7-12H2,1-2H3
InChIKeyYTERABQHVVBFNH-UHFFFAOYSA-N
XLogP5.11
TPSA46.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dichloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 91409732
7-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 90737160
7-bromo-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 91317724
2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
CID 91371946
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
6-fluoro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one
CID 10368204
2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
CID 90797058
4-(3,4-dichlorophenyl)-1-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2H-pyrrol-5-one
CID 11225281
4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide
CID 142949454
2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol
CID 91012940
2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-3,4-dimethyl-3H-pyrrolo[3,4-b]indol-1-one;hydrochloride
CID 10435428
(2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol
CID 66516344

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol?
The IUPAC name of 5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol (CID 91040837) is 5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol.
What is the SMILES notation for 5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol?
The canonical SMILES for 5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol is COc1ccc(-n2cc3cc(Cl)ccc3c2O)cc1OCCN1CCC(C)CC1.
What is the InChIKey of 5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol?
The InChIKey is YTERABQHVVBFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-16-7-9-25(10-8-16)11-12-29-22-14-19(4-6-21(22)28-2)26-15-17-13-18(24)3-5-20(17)23(26)27/h3-6,13-16,27H,7-12H2,1-2H3.
What are the key properties of 5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol?
5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol has a molecular weight of 414.93 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol is sourced from PubChem (CID 91040837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).