1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol

C14H18ClNO — CID 117197676

IUPAC1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol
SMILESCCn1cc(CC(C)(C)O)c2cccc(Cl)c21
InChIInChI=1S/C14H18ClNO/c1-4-16-9-10(8-14(2,3)17)11-6-5-7-12(15)13(11)16/h5-7,9,17H,4,8H2,1-3H3
InChIKeyLQBXXIRZLCQTPB-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.63
Rot. Bonds3

About 1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol

1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol (PubChem CID 117197676) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol
PubChem CID117197676
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol
SMILESCCn1cc(CC(C)(C)O)c2cccc(Cl)c21
InChIInChI=1S/C14H18ClNO/c1-4-16-9-10(8-14(2,3)17)11-6-5-7-12(15)13(11)16/h5-7,9,17H,4,8H2,1-3H3
InChIKeyLQBXXIRZLCQTPB-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-ethylindol-3-yl)methanol
CID 83522863
2-(7-chloro-1-ethylindol-3-yl)acetaldehyde
CID 117197652
3-(7-chloro-1-ethylindol-3-yl)propanoic acid
CID 117197744
N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine
CID 117182263
1-ethyl-3-(hydroxymethyl)indol-7-ol
CID 117182594
1-(1-ethylindol-7-yl)-2-methylpropan-2-ol
CID 115115004
1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol
CID 117119655
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol
CID 117120932
1-ethyl-3-(hydroxymethyl)indole-7-carboxylic acid
CID 117182666
1-(1-butyl-7-chloroindol-3-yl)ethanone
CID 117098510
methyl 2-(7-chloro-1-methylindol-3-yl)acetate
CID 84741199
1-(7-bromo-1-ethylindol-3-yl)propan-2-one
CID 117197654

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol (CID 117197676) is 1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol is CCn1cc(CC(C)(C)O)c2cccc(Cl)c21.
What is the InChIKey of 1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol?
The InChIKey is LQBXXIRZLCQTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-4-16-9-10(8-14(2,3)17)11-6-5-7-12(15)13(11)16/h5-7,9,17H,4,8H2,1-3H3.
What are the key properties of 1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol?
1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol has a molecular weight of 251.76 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117197676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).