6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole

C14H18ClNO — CID 116620454

IUPAC6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
SMILESCC(C)(C)OCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClNO/c1-14(2,3)17-9-8-16-7-6-11-4-5-12(15)10-13(11)16/h4-7,10H,8-9H2,1-3H3
InChIKeyPHVZUGAYHAMKII-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.11
Rot. Bonds3

About 6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole

6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole (PubChem CID 116620454) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole.

Molecular Properties

Compound Name6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
PubChem CID116620454
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
SMILESCC(C)(C)OCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClNO/c1-14(2,3)17-9-8-16-7-6-11-4-5-12(15)10-13(11)16/h4-7,10H,8-9H2,1-3H3
InChIKeyPHVZUGAYHAMKII-UHFFFAOYSA-N
XLogP4.11
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(6-chloroindol-1-yl)pentan-2-one
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1-[(E)-but-2-enyl]-6-chloroindole
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(2S)-1-(6-chloroindol-1-yl)propan-2-ol
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6-chloro-1-(2-pyridin-2-ylethyl)indole
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2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole?
The IUPAC name of 6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole (CID 116620454) is 6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole.
What is the SMILES notation for 6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole?
The canonical SMILES for 6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole is CC(C)(C)OCCn1ccc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole?
The InChIKey is PHVZUGAYHAMKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-14(2,3)17-9-8-16-7-6-11-4-5-12(15)10-13(11)16/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole?
6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole has a molecular weight of 251.76 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole is sourced from PubChem (CID 116620454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).