[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol

C14H18ClNO — CID 82268659

IUPAC[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol
SMILESCc1cccc2c(CO)c(Cl)n(CC(C)C)c12
InChIInChI=1S/C14H18ClNO/c1-9(2)7-16-13-10(3)5-4-6-11(13)12(8-17)14(16)15/h4-6,9,17H,7-8H2,1-3H3
InChIKeyOFDDTXHLQFBDFM-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.75
Rot. Bonds3

About [2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol

[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol (PubChem CID 82268659) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is [2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol.

Molecular Properties

Compound Name[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol
PubChem CID82268659
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol
SMILESCc1cccc2c(CO)c(Cl)n(CC(C)C)c12
InChIInChI=1S/C14H18ClNO/c1-9(2)7-16-13-10(3)5-4-6-11(13)12(8-17)14(16)15/h4-6,9,17H,7-8H2,1-3H3
InChIKeyOFDDTXHLQFBDFM-UHFFFAOYSA-N
XLogP3.75
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol
CID 82268703
1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol
CID 82268661
[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
CID 82269307
(1-butyl-2,7-dichloroindol-3-yl)methanol
CID 82269358
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
2-chloro-1,3,7-trimethylindole
CID 117127854
[5-(5-chloro-2-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 82890463
2-chloro-7-methyl-1-propylindole-3-carboxylic acid
CID 82268650
4-methyl-2-(2-methylpropyl)isoindol-1-ol
CID 91473058
[5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115397101
2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid
CID 82268674
1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
CID 82268678

Frequently Asked Questions

What is the IUPAC name of [2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol?
The IUPAC name of [2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol (CID 82268659) is [2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol.
What is the SMILES notation for [2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol?
The canonical SMILES for [2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol is Cc1cccc2c(CO)c(Cl)n(CC(C)C)c12.
What is the InChIKey of [2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol?
The InChIKey is OFDDTXHLQFBDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-9(2)7-16-13-10(3)5-4-6-11(13)12(8-17)14(16)15/h4-6,9,17H,7-8H2,1-3H3.
What are the key properties of [2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol?
[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol has a molecular weight of 251.76 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol is sourced from PubChem (CID 82268659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).