2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol

C18H17NO2 — CID 91235499

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol
SMILESCOc1ccc2cn(-c3ccc4c(c3)CCC4)c(O)c2c1
InChIInChI=1S/C18H17NO2/c1-21-16-8-6-14-11-19(18(20)17(14)10-16)15-7-5-12-3-2-4-13(12)9-15/h5-11,20H,2-4H2,1H3
InChIKeyOOHSKBNSFLMBMG-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.83
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol

2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol (PubChem CID 91235499) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol
PubChem CID91235499
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol
SMILESCOc1ccc2cn(-c3ccc4c(c3)CCC4)c(O)c2c1
InChIInChI=1S/C18H17NO2/c1-21-16-8-6-14-11-19(18(20)17(14)10-16)15-7-5-12-3-2-4-13(12)9-15/h5-11,20H,2-4H2,1H3
InChIKeyOOHSKBNSFLMBMG-UHFFFAOYSA-N
XLogP3.83
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol
CID 91063844
6-methoxy-2-(4-methylquinolin-7-yl)isoindol-1-ol
CID 90806841
6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol
CID 90912330
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
6-methoxy-1,2,3,4-tetrahydrophenanthrene
CID 14828207
[2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone
CID 71481875
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562
2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol
CID 91034080
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036020
4-cyclopropylidene-6-methoxy-2,3-dihydro-1H-naphthalene
CID 67360409
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51184678
1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide
CID 45086937

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol (CID 91235499) is 2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol is COc1ccc2cn(-c3ccc4c(c3)CCC4)c(O)c2c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol?
The InChIKey is OOHSKBNSFLMBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-21-16-8-6-14-11-19(18(20)17(14)10-16)15-7-5-12-3-2-4-13(12)9-15/h5-11,20H,2-4H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol?
2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol has a molecular weight of 279.34 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol is sourced from PubChem (CID 91235499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).