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

C10H12Cl2O3 — CID 10634472

IUPAC(1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
SMILESCOc1c(Cl)cc([C@@H](O)[C@H](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/t5-,9-/m0/s1
InChIKeyMDZJODGNHBYYAE-CDUCUWFYSA-N
MW251.11 g/mol
LogP2.42
Rot. Bonds3

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

(1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol (PubChem CID 10634472) has the molecular formula C10H12Cl2O3 and a molecular weight of 251.11 g/mol. Its IUPAC name is (1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
PubChem CID10634472
Molecular FormulaC10H12Cl2O3
Molecular Weight251.11 g/mol
Exact Mass250.02
IUPAC Name(1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
SMILESCOc1c(Cl)cc([C@@H](O)[C@H](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/t5-,9-/m0/s1
InChIKeyMDZJODGNHBYYAE-CDUCUWFYSA-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

3-(2-Chloro-6-methylphenoxy)-1,2-propanediol
CID 98050
3,5-Dichloro-p-anisyl alcohol
CID 893589
Trametol
CID 10353281
(3-Chloro-4-methoxyphenyl)methanol
CID 4312004
1-(3-Chloro-4-methoxyphenyl)ethan-1-ol
CID 21573820
(2,6-Dichloro-4-methoxyphenyl)methanol
CID 14484725
1-(2-Chloro-6-methylphenoxy)propan-2-ol
CID 20286037
3-(2,6-Dichloro-4-methylphenoxy)-1-propanol
CID 21134420
2,2,2-Trichloro-1-(4-methoxyphenyl)ethanol
CID 5177931
3-(2-Chloro-6-propylphenoxy)propane-1,2-diol
CID 113938
1,2-Propanediol, 3-(2-allyl-6-chlorophenoxy)-
CID 3048390
2-(3-Chloro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 4568951

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
The IUPAC name of (1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol (CID 10634472) is (1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for (1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for (1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol is COc1c(Cl)cc([C@@H](O)[C@H](C)O)cc1Cl.
What is the InChIKey of (1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
The InChIKey is MDZJODGNHBYYAE-CDUCUWFYSA-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/t5-,9-/m0/s1.
What are the key properties of (1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
(1R,2S)-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 (1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 10634472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).