(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol

C10H13ClO4 — CID 141307295

IUPAC(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol
SMILESCOc1cccc(Cl)c1OC[C@H](O)CO
InChIInChI=1S/C10H13ClO4/c1-14-9-4-2-3-8(11)10(9)15-6-7(13)5-12/h2-4,7,12-13H,5-6H2,1H3/t7-/m1/s1
InChIKeyHDQWFKDDPJZWDR-SSDOTTSWSA-N
MW232.66 g/mol
LogP1.08
Rot. Bonds5

About (2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol

(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol (PubChem CID 141307295) has the molecular formula C10H13ClO4 and a molecular weight of 232.66 g/mol. Its IUPAC name is (2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol
PubChem CID141307295
Molecular FormulaC10H13ClO4
Molecular Weight232.66 g/mol
Exact Mass232.05
IUPAC Name(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol
SMILESCOc1cccc(Cl)c1OC[C@H](O)CO
InChIInChI=1S/C10H13ClO4/c1-14-9-4-2-3-8(11)10(9)15-6-7(13)5-12/h2-4,7,12-13H,5-6H2,1H3/t7-/m1/s1
InChIKeyHDQWFKDDPJZWDR-SSDOTTSWSA-N
XLogP1.08
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde
CID 82850307
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3-[3-chloro-2-(hydroxymethyl)phenoxy]propane-1,2-diol
CID 82850685
2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide
CID 47931716
1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol
CID 109416037
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889
[(2S)-3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6988830
1-(2-chlorophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol
CID 109416021
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 16806866
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79249781
1-[1-(3-chlorophenyl)ethylamino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 138960452

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol?
The IUPAC name of (2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol (CID 141307295) is (2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol?
The canonical SMILES for (2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol is COc1cccc(Cl)c1OC[C@H](O)CO.
What is the InChIKey of (2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol?
The InChIKey is HDQWFKDDPJZWDR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClO4/c1-14-9-4-2-3-8(11)10(9)15-6-7(13)5-12/h2-4,7,12-13H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol?
(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol has a molecular weight of 232.66 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol is sourced from PubChem (CID 141307295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).