1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol

C10H12Cl2O3 — CID 85213872

IUPAC1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
SMILESCOc1c(Cl)cc(C(O)C(C)O)cc1Cl
InChIInChI=1S/C10H12Cl2O3/c1-5(13)9(14)6-3-7(11)10(15-2)8(12)4-6/h3-5,9,13-14H,1-2H3
InChIKeyMDZJODGNHBYYAE-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.42
Rot. Bonds3

About 1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol

1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol (PubChem CID 85213872) has the molecular formula C10H12Cl2O3 and a molecular weight of 251.11 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
PubChem CID85213872
Molecular FormulaC10H12Cl2O3
Molecular Weight251.11 g/mol
Exact Mass250.02
IUPAC Name1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
SMILESCOc1c(Cl)cc(C(O)C(C)O)cc1Cl
InChIInChI=1S/C10H12Cl2O3/c1-5(13)9(14)6-3-7(11)10(15-2)8(12)4-6/h3-5,9,13-14H,1-2H3
InChIKeyMDZJODGNHBYYAE-UHFFFAOYSA-N
XLogP2.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol
CID 84692296
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
CID 117337308
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
[(1R,2S)-1-acetyloxy-1-(3,5-dichloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(113C)propan-2-yl] acetate
CID 101137826
[(1S,2R)-1-acetyloxy-1-(3,5-dichloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(113C)propan-2-yl] acetate
CID 101137825
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanone
CID 83892755
(2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol
CID 144811664
1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
CID 82550774
1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
CID 83928692
1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 84708311

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
The IUPAC name of 1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol (CID 85213872) is 1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for 1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol is COc1c(Cl)cc(C(O)C(C)O)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
The InChIKey is MDZJODGNHBYYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O3/c1-5(13)9(14)6-3-7(11)10(15-2)8(12)4-6/h3-5,9,13-14H,1-2H3.
What are the key properties of 1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol has a molecular weight of 251.11 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 85213872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).