3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol

C10H11ClF2O3 — CID 171862381

IUPAC3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol
SMILESCOc1c(F)cc(F)cc1C(O)C(O)CCl
InChIInChI=1S/C10H11ClF2O3/c1-16-10-6(9(15)8(14)4-11)2-5(12)3-7(10)13/h2-3,8-9,14-15H,4H2,1H3
InChIKeyDONURQSECHYOOP-UHFFFAOYSA-N
MW252.64 g/mol
LogP1.61
Rot. Bonds4

About 3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol

3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol (PubChem CID 171862381) has the molecular formula C10H11ClF2O3 and a molecular weight of 252.64 g/mol. Its IUPAC name is 3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol
PubChem CID171862381
Molecular FormulaC10H11ClF2O3
Molecular Weight252.64 g/mol
Exact Mass252.04
IUPAC Name3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol
SMILESCOc1c(F)cc(F)cc1C(O)C(O)CCl
InChIInChI=1S/C10H11ClF2O3/c1-16-10-6(9(15)8(14)4-11)2-5(12)3-7(10)13/h2-3,8-9,14-15H,4H2,1H3
InChIKeyDONURQSECHYOOP-UHFFFAOYSA-N
XLogP1.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.64
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-difluoro-2-methoxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874440
N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830406
1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308
3-chloro-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol
CID 171863279
3-chloro-1-(2,4,5-trimethoxyphenyl)propane-1,2-diol
CID 171863317
(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 66514208
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
1-(5-ethyl-3-fluoro-2-methoxyphenyl)ethanol
CID 84668298
2-(3,5-difluoro-2-methoxyphenyl)propanenitrile
CID 84774139
3-(3,5-difluoro-2-methoxyphenyl)butanal
CID 117305267
3-chloro-1-(2-chloro-4-fluorophenyl)propane-1,2-diol
CID 171861599
3-chloro-1-[2-(dimethoxymethyl)phenyl]propane-1,2-diol
CID 171862593

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol?
The IUPAC name of 3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol (CID 171862381) is 3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for 3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol is COc1c(F)cc(F)cc1C(O)C(O)CCl.
What is the InChIKey of 3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol?
The InChIKey is DONURQSECHYOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O3/c1-16-10-6(9(15)8(14)4-11)2-5(12)3-7(10)13/h2-3,8-9,14-15H,4H2,1H3.
What are the key properties of 3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol?
3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol has a molecular weight of 252.64 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 171862381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).