5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol

C12H16Cl2O3 — CID 83941161

IUPAC5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol
SMILESCOc1c(Cl)cc(Cl)cc1CCC(O)C(C)O
InChIInChI=1S/C12H16Cl2O3/c1-7(15)11(16)4-3-8-5-9(13)6-10(14)12(8)17-2/h5-7,11,15-16H,3-4H2,1-2H3
InChIKeyMYQSATRMOVLCFY-UHFFFAOYSA-N
MW279.16 g/mol
LogP2.68
Rot. Bonds5

About 5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol

5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol (PubChem CID 83941161) has the molecular formula C12H16Cl2O3 and a molecular weight of 279.16 g/mol. Its IUPAC name is 5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol
PubChem CID83941161
Molecular FormulaC12H16Cl2O3
Molecular Weight279.16 g/mol
Exact Mass278.05
IUPAC Name5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol
SMILESCOc1c(Cl)cc(Cl)cc1CCC(O)C(C)O
InChIInChI=1S/C12H16Cl2O3/c1-7(15)11(16)4-3-8-5-9(13)6-10(14)12(8)17-2/h5-7,11,15-16H,3-4H2,1-2H3
InChIKeyMYQSATRMOVLCFY-UHFFFAOYSA-N
XLogP2.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924959
1-(2-bromoethyl)-3,5-dichloro-2-methoxybenzene
CID 82489523
1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol
CID 83941378
(3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium
CID 7827915
5-(5-chloro-2-methoxy-4-methylphenyl)pentane-2,3-diol
CID 83937566
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
5-(3-tert-butyl-2-methoxy-5-methylphenyl)pentane-2,3-diol
CID 83943010
1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
CID 116932155
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine
CID 115226065
N-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]carbamoyl bromide
CID 115193935

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol?
The IUPAC name of 5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol (CID 83941161) is 5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol is COc1c(Cl)cc(Cl)cc1CCC(O)C(C)O.
What is the InChIKey of 5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol?
The InChIKey is MYQSATRMOVLCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O3/c1-7(15)11(16)4-3-8-5-9(13)6-10(14)12(8)17-2/h5-7,11,15-16H,3-4H2,1-2H3.
What are the key properties of 5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol?
5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol has a molecular weight of 279.16 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol is sourced from PubChem (CID 83941161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).