6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol

C17H16ClNO — CID 91599809

IUPAC6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol
SMILESCC(C)c1ccc(-n2cc3ccc(Cl)cc3c2O)cc1
InChIInChI=1S/C17H16ClNO/c1-11(2)12-4-7-15(8-5-12)19-10-13-3-6-14(18)9-16(13)17(19)20/h3-11,20H,1-2H3
InChIKeyMEIHBHAHDNEECD-UHFFFAOYSA-N
MW285.77 g/mol
LogP5.11
Rot. Bonds2

About 6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol

6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol (PubChem CID 91599809) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol.

Molecular Properties

Compound Name6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol
PubChem CID91599809
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol
SMILESCC(C)c1ccc(-n2cc3ccc(Cl)cc3c2O)cc1
InChIInChI=1S/C17H16ClNO/c1-11(2)12-4-7-15(8-5-12)19-10-13-3-6-14(18)9-16(13)17(19)20/h3-11,20H,1-2H3
InChIKeyMEIHBHAHDNEECD-UHFFFAOYSA-N
XLogP5.11
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.77
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol?
The IUPAC name of 6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol (CID 91599809) is 6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol.
What is the SMILES notation for 6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol?
The canonical SMILES for 6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol is CC(C)c1ccc(-n2cc3ccc(Cl)cc3c2O)cc1.
What is the InChIKey of 6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol?
The InChIKey is MEIHBHAHDNEECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-11(2)12-4-7-15(8-5-12)19-10-13-3-6-14(18)9-16(13)17(19)20/h3-11,20H,1-2H3.
What are the key properties of 6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol?
6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol has a molecular weight of 285.77 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol is sourced from PubChem (CID 91599809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).