1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol

C10H13ClO4 — CID 170817734

IUPAC1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
SMILESCOc1ccc(C(O)C(O)CO)c(Cl)c1
InChIInChI=1S/C10H13ClO4/c1-15-6-2-3-7(8(11)4-6)10(14)9(13)5-12/h2-4,9-10,12-14H,5H2,1H3
InChIKeyHQIZCTVRUJYUFC-UHFFFAOYSA-N
MW232.66 g/mol
LogP0.74
Rot. Bonds4

About 1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol

1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol (PubChem CID 170817734) has the molecular formula C10H13ClO4 and a molecular weight of 232.66 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
PubChem CID170817734
Molecular FormulaC10H13ClO4
Molecular Weight232.66 g/mol
Exact Mass232.05
IUPAC Name1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
SMILESCOc1ccc(C(O)C(O)CO)c(Cl)c1
InChIInChI=1S/C10H13ClO4/c1-15-6-2-3-7(8(11)4-6)10(14)9(13)5-12/h2-4,9-10,12-14H,5H2,1H3
InChIKeyHQIZCTVRUJYUFC-UHFFFAOYSA-N
XLogP0.74
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2,3-triol
CID 170818716
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823843
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol
CID 104521148
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61081677
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol (CID 170817734) is 1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol is COc1ccc(C(O)C(O)CO)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol?
The InChIKey is HQIZCTVRUJYUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO4/c1-15-6-2-3-7(8(11)4-6)10(14)9(13)5-12/h2-4,9-10,12-14H,5H2,1H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol?
1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol has a molecular weight of 232.66 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170817734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).