6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol

C14H16ClNO — CID 90846710

IUPAC6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol
SMILESCC(C)(C)C=Cc1c(O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H16ClNO/c1-14(2,3)7-6-11-10-5-4-9(15)8-12(10)16-13(11)17/h4-8,16-17H,1-3H3
InChIKeyAGMNUUOXOLCBNG-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.59
Rot. Bonds1

About 6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol

6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol (PubChem CID 90846710) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol.

Molecular Properties

Compound Name6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol
PubChem CID90846710
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol
SMILESCC(C)(C)C=Cc1c(O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H16ClNO/c1-14(2,3)7-6-11-10-5-4-9(15)8-12(10)16-13(11)17/h4-8,16-17H,1-3H3
InChIKeyAGMNUUOXOLCBNG-UHFFFAOYSA-N
XLogP4.59
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006510
6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
CID 137006375
6-chloro-3-[(2,5-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006420
6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006440
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458
3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006158
6-chloro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 137006478
7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one
CID 54689450
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine
CID 84624306
2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278454
1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 59987342

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol?
The IUPAC name of 6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol (CID 90846710) is 6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol.
What is the SMILES notation for 6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol?
The canonical SMILES for 6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol is CC(C)(C)C=Cc1c(O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol?
The InChIKey is AGMNUUOXOLCBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-14(2,3)7-6-11-10-5-4-9(15)8-12(10)16-13(11)17/h4-8,16-17H,1-3H3.
What are the key properties of 6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol?
6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol has a molecular weight of 249.74 g/mol, XLogP of 4.59, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol is sourced from PubChem (CID 90846710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).