3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol

C15H20ClNO2 — CID 83944482

IUPAC3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol
SMILESCOc1cc2c(CCCO)cn(C(C)C)c2cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-10(2)17-9-11(5-4-6-18)12-7-15(19-3)13(16)8-14(12)17/h7-10,18H,4-6H2,1-3H3
InChIKeyNFQVKPHNGAXSHE-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.81
Rot. Bonds5

About 3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol

3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol (PubChem CID 83944482) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol
PubChem CID83944482
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol
SMILESCOc1cc2c(CCCO)cn(C(C)C)c2cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-10(2)17-9-11(5-4-6-18)12-7-15(19-3)13(16)8-14(12)17/h7-10,18H,4-6H2,1-3H3
InChIKeyNFQVKPHNGAXSHE-UHFFFAOYSA-N
XLogP3.81
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dimethoxy-1-propan-2-ylindol-3-yl)acetic acid
CID 83944589
3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117363855
5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
CID 117308657
2-[3-(3-hydroxypropyl)-5,6-dimethoxyindol-1-yl]acetic acid
CID 83944581
3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol
CID 83944719
3-butyl-5-methyl-1-propan-2-ylindole-6-carboxylic acid
CID 83963529
2-(5,6-dimethyl-1-propan-2-ylindol-3-yl)ethanamine
CID 83948286
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570
3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol
CID 117429960
3-(6-methoxy-1-methylindol-3-yl)propan-1-ol
CID 82278635
3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
CID 83944419
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
CID 83948348

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol?
The IUPAC name of 3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol (CID 83944482) is 3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol?
The canonical SMILES for 3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol is COc1cc2c(CCCO)cn(C(C)C)c2cc1Cl.
What is the InChIKey of 3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol?
The InChIKey is NFQVKPHNGAXSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10(2)17-9-11(5-4-6-18)12-7-15(19-3)13(16)8-14(12)17/h7-10,18H,4-6H2,1-3H3.
What are the key properties of 3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol?
3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol has a molecular weight of 281.78 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol is sourced from PubChem (CID 83944482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).