1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol

C12H16Cl2O3 — CID 102927602

IUPAC1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
SMILESCOCCOCCC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2O3/c1-16-7-8-17-6-5-11(15)9-3-2-4-10(13)12(9)14/h2-4,11,15H,5-8H2,1H3
InChIKeyNFXZCFACNQSLHE-UHFFFAOYSA-N
MW279.16 g/mol
LogP3.08
Rot. Bonds7

About 1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol

1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol (PubChem CID 102927602) has the molecular formula C12H16Cl2O3 and a molecular weight of 279.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
PubChem CID102927602
Molecular FormulaC12H16Cl2O3
Molecular Weight279.16 g/mol
Exact Mass278.05
IUPAC Name1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
SMILESCOCCOCCC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2O3/c1-16-7-8-17-6-5-11(15)9-3-2-4-10(13)12(9)14/h2-4,11,15H,5-8H2,1H3
InChIKeyNFXZCFACNQSLHE-UHFFFAOYSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147543
1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 114275160
methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770432
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine
CID 65092620
1-(2,3-dichlorophenyl)hex-4-yn-1-ol
CID 104809418
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770439
1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927728
1-(2,3-dichlorophenyl)-2-(4-methylphenyl)ethanol
CID 62790994
1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol
CID 114079785

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol (CID 102927602) is 1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol is COCCOCCC(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol?
The InChIKey is NFXZCFACNQSLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O3/c1-16-7-8-17-6-5-11(15)9-3-2-4-10(13)12(9)14/h2-4,11,15H,5-8H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol?
1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol has a molecular weight of 279.16 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol is sourced from PubChem (CID 102927602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).