6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol

C15H20ClNO2 — CID 107705771

IUPAC6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol
SMILESOCCCCCCn1cc(CO)c2ccc(Cl)cc21
InChIInChI=1S/C15H20ClNO2/c16-13-5-6-14-12(11-19)10-17(15(14)9-13)7-3-1-2-4-8-18/h5-6,9-10,18-19H,1-4,7-8,11H2
InChIKeyTXTUJTFYFBZRKO-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.34
Rot. Bonds7

About 6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol

6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol (PubChem CID 107705771) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol
PubChem CID107705771
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol
SMILESOCCCCCCn1cc(CO)c2ccc(Cl)cc21
InChIInChI=1S/C15H20ClNO2/c16-13-5-6-14-12(11-19)10-17(15(14)9-13)7-3-1-2-4-8-18/h5-6,9-10,18-19H,1-4,7-8,11H2
InChIKeyTXTUJTFYFBZRKO-UHFFFAOYSA-N
XLogP3.34
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
CID 107705897
5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
CID 66410117
[6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol
CID 106705438
[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol
CID 106930114
3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
CID 83948692
[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanol
CID 105372625
2-[6-bromo-1-(3-hydroxypropyl)indol-3-yl]acetic acid
CID 83946695
1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine
CID 103411335
2-[3-(3-aminopropyl)-6-chloroindol-1-yl]acetic acid
CID 83945236
3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol
CID 83945302
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
CID 66399928
1-(1-butyl-6-chloroindol-3-yl)ethanol
CID 83945241

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol?
The IUPAC name of 6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol (CID 107705771) is 6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol?
The canonical SMILES for 6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol is OCCCCCCn1cc(CO)c2ccc(Cl)cc21.
What is the InChIKey of 6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol?
The InChIKey is TXTUJTFYFBZRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-5-6-14-12(11-19)10-17(15(14)9-13)7-3-1-2-4-8-18/h5-6,9-10,18-19H,1-4,7-8,11H2.
What are the key properties of 6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol?
6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol has a molecular weight of 281.78 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol is sourced from PubChem (CID 107705771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).