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

C10H12Cl2O3 — CID 139583580

IUPAC(1S,2R)-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-/m1/s1
InChIKeyMDZJODGNHBYYAE-MLUIRONXSA-N
MW251.11 g/mol
LogP2.42
Rot. Bonds3

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

(1S,2R)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol (PubChem CID 139583580) has the molecular formula C10H12Cl2O3 and a molecular weight of 251.11 g/mol. Its IUPAC name is (1S,2R)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
PubChem CID139583580
Molecular FormulaC10H12Cl2O3
Molecular Weight251.11 g/mol
Exact Mass250.02
IUPAC Name(1S,2R)-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-/m1/s1
InChIKeyMDZJODGNHBYYAE-MLUIRONXSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
The IUPAC name of (1S,2R)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol (CID 139583580) is (1S,2R)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for (1S,2R)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for (1S,2R)-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 (1S,2R)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
The InChIKey is MDZJODGNHBYYAE-MLUIRONXSA-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-/m1/s1.
What are the key properties of (1S,2R)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol?
(1S,2R)-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 (1S,2R)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 139583580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).