1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol

C17H16ClNO — CID 10859073

IUPAC1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C17H16ClNO/c1-12(20)16-11-19(17-5-3-2-4-15(16)17)10-13-6-8-14(18)9-7-13/h2-9,11-12,20H,10H2,1H3
InChIKeyDNNVZNLABQAGQG-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.40
Rot. Bonds3

About 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol

1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol (PubChem CID 10859073) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol
PubChem CID10859073
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C17H16ClNO/c1-12(20)16-11-19(17-5-3-2-4-15(16)17)10-13-6-8-14(18)9-7-13/h2-9,11-12,20H,10H2,1H3
InChIKeyDNNVZNLABQAGQG-UHFFFAOYSA-N
XLogP4.40
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

L-741,626
CID 133633
N-methoxyindole-3-carbinol
CID 398553
(R)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 9927453
1-(3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11324939
2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
(1S,5R)-3-(4-chlorophenyl)-8-(1H-indol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 25129807
8-(2-(1H-indol-3-yl)ethyl)-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 44591042
1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
(1-Benzyl-1h-indol-3-yl)methanol
CID 402633
[1-(2-Chloro-benzyl)-1H-indol-3-yl]-methanol
CID 893119
[1-[(3,4-Dichlorophenyl)methyl]indol-3-yl]methanol
CID 894288
[1-(4-methylbenzyl)-1H-indol-3-yl]methanol
CID 900428

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol (CID 10859073) is 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol is CC(O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol?
The InChIKey is DNNVZNLABQAGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-12(20)16-11-19(17-5-3-2-4-15(16)17)10-13-6-8-14(18)9-7-13/h2-9,11-12,20H,10H2,1H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol?
1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol has a molecular weight of 285.77 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethanol is sourced from PubChem (CID 10859073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).