[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol

C14H16ClNO2 — CID 106930114

IUPAC[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol
SMILESOCc1cn(COCC2CC2)c2cc(Cl)ccc12
InChIInChI=1S/C14H16ClNO2/c15-12-3-4-13-11(7-17)6-16(14(13)5-12)9-18-8-10-1-2-10/h3-6,10,17H,1-2,7-9H2
InChIKeyVRRLMKABFWPLQG-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.17
Rot. Bonds5

About [6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol

[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol (PubChem CID 106930114) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is [6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol.

Molecular Properties

Compound Name[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol
PubChem CID106930114
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol
SMILESOCc1cn(COCC2CC2)c2cc(Cl)ccc12
InChIInChI=1S/C14H16ClNO2/c15-12-3-4-13-11(7-17)6-16(14(13)5-12)9-18-8-10-1-2-10/h3-6,10,17H,1-2,7-9H2
InChIKeyVRRLMKABFWPLQG-UHFFFAOYSA-N
XLogP3.17
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine
CID 106930200
6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol
CID 107705771
[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanol
CID 105372625
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
CID 66399928
N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
CID 117178828
6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
CID 107705897
[6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine
CID 107913109
1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine
CID 103411335
6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole
CID 117178863
3-(azepan-1-ylmethyl)-6-chloro-1-ethylindole
CID 117178871
6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione
CID 24740974
3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 82850093

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol?
The IUPAC name of [6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol (CID 106930114) is [6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol.
What is the SMILES notation for [6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol?
The canonical SMILES for [6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol is OCc1cn(COCC2CC2)c2cc(Cl)ccc12.
What is the InChIKey of [6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol?
The InChIKey is VRRLMKABFWPLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-12-3-4-13-11(7-17)6-16(14(13)5-12)9-18-8-10-1-2-10/h3-6,10,17H,1-2,7-9H2.
What are the key properties of [6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol?
[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol has a molecular weight of 265.74 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol is sourced from PubChem (CID 106930114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).