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

C17H17NO — CID 90763500

IUPAC2-(4-propan-2-ylphenyl)isoindol-1-ol
SMILESCC(C)c1ccc(-n2cc3ccccc3c2O)cc1
InChIInChI=1S/C17H17NO/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17(18)19/h3-12,19H,1-2H3
InChIKeyVHOROTDDBRYIMH-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.46
Rot. Bonds2

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

2-(4-propan-2-ylphenyl)isoindol-1-ol (PubChem CID 90763500) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)isoindol-1-ol.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)isoindol-1-ol
PubChem CID90763500
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(4-propan-2-ylphenyl)isoindol-1-ol
SMILESCC(C)c1ccc(-n2cc3ccccc3c2O)cc1
InChIInChI=1S/C17H17NO/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17(18)19/h3-12,19H,1-2H3
InChIKeyVHOROTDDBRYIMH-UHFFFAOYSA-N
XLogP4.46
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol
CID 91599809
ethane;1-(4-propan-2-ylphenyl)pyridin-2-one
CID 167489788
3-methyl-1-(4-propan-2-ylphenyl)indol-5-ol;hydrochloride
CID 174345807
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121
1-methyl-4-propan-2-ylbenzene;picene
CID 173420307
1-[1-(4-propan-2-ylphenyl)pyrrol-2-yl]ethanone
CID 70840684
3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole
CID 102125597
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
3-(4-propan-2-ylphenyl)-2H-phthalazine-1,4-dione
CID 21106573
[2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine
CID 82288618
1-[phenyl-(4-propan-2-ylphenyl)methyl]naphthalene
CID 140715231

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)isoindol-1-ol?
The IUPAC name of 2-(4-propan-2-ylphenyl)isoindol-1-ol (CID 90763500) is 2-(4-propan-2-ylphenyl)isoindol-1-ol.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)isoindol-1-ol?
The canonical SMILES for 2-(4-propan-2-ylphenyl)isoindol-1-ol is CC(C)c1ccc(-n2cc3ccccc3c2O)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)isoindol-1-ol?
The InChIKey is VHOROTDDBRYIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17(18)19/h3-12,19H,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)isoindol-1-ol?
2-(4-propan-2-ylphenyl)isoindol-1-ol has a molecular weight of 251.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)isoindol-1-ol is sourced from PubChem (CID 90763500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).