1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol

C15H21Cl2NO3 — CID 110020039

IUPAC1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCC(O)C1CCN(CC(O)COc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H21Cl2NO3/c1-10(19)11-5-6-18(7-11)8-12(20)9-21-15-13(16)3-2-4-14(15)17/h2-4,10-12,19-20H,5-9H2,1H3
InChIKeyNUMRDXISWJWCAQ-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.44
Rot. Bonds6

About 1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol

1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 110020039) has the molecular formula C15H21Cl2NO3 and a molecular weight of 334.24 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID110020039
Molecular FormulaC15H21Cl2NO3
Molecular Weight334.24 g/mol
Exact Mass333.09
IUPAC Name1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCC(O)C1CCN(CC(O)COc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H21Cl2NO3/c1-10(19)11-5-6-18(7-11)8-12(20)9-21-15-13(16)3-2-4-14(15)17/h2-4,10-12,19-20H,5-9H2,1H3
InChIKeyNUMRDXISWJWCAQ-UHFFFAOYSA-N
XLogP2.44
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 110020401
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 4024808
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
(2S)-1-(4-cyclopropyl-1,4-diazepan-1-yl)-3-(2,6-dichlorophenoxy)propan-2-ol
CID 97010622
1-(4-tert-butyl-2-methylphenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 110020038
(3aR,7aR)-2-[(2S)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124739699
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 10294850
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol (CID 110020039) is 1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol is CC(O)C1CCN(CC(O)COc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is NUMRDXISWJWCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO3/c1-10(19)11-5-6-18(7-11)8-12(20)9-21-15-13(16)3-2-4-14(15)17/h2-4,10-12,19-20H,5-9H2,1H3.
What are the key properties of 1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 334.24 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 110020039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).