1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol

C10H12Cl2O3 — CID 60884982

IUPAC1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
SMILESCC(O)COc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C10H12Cl2O3/c1-6(14)5-15-10-7(4-13)2-8(11)3-9(10)12/h2-3,6,13-14H,4-5H2,1H3
InChIKeyYROYVJGXWSAWPA-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.25
Rot. Bonds4

About 1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol

1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol (PubChem CID 60884982) has the molecular formula C10H12Cl2O3 and a molecular weight of 251.11 g/mol. Its IUPAC name is 1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
PubChem CID60884982
Molecular FormulaC10H12Cl2O3
Molecular Weight251.11 g/mol
Exact Mass250.02
IUPAC Name1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
SMILESCC(O)COc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C10H12Cl2O3/c1-6(14)5-15-10-7(4-13)2-8(11)3-9(10)12/h2-3,6,13-14H,4-5H2,1H3
InChIKeyYROYVJGXWSAWPA-UHFFFAOYSA-N
XLogP2.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 60889829
3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900680
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
1-(2,6-dichloro-4-methylphenoxy)propan-2-ol
CID 90679727
[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol
CID 43516247
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propane-1,2-diol
CID 82849323
[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046936
[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
CID 79172958
[3,5-dichloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanol
CID 43646746
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide
CID 43516191

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol (CID 60884982) is 1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol is CC(O)COc1c(Cl)cc(Cl)cc1CO.
What is the InChIKey of 1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol?
The InChIKey is YROYVJGXWSAWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O3/c1-6(14)5-15-10-7(4-13)2-8(11)3-9(10)12/h2-3,6,13-14H,4-5H2,1H3.
What are the key properties of 1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol?
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol has a molecular weight of 251.11 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 60884982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).