3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol

C10H13ClO3 — CID 142768144

IUPAC3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol
SMILESCc1cc(Cl)cc(CC(O)CO)c1O
InChIInChI=1S/C10H13ClO3/c1-6-2-8(11)3-7(10(6)14)4-9(13)5-12/h2-3,9,12-14H,4-5H2,1H3
InChIKeyARHAXCALRCDQCX-UHFFFAOYSA-N
MW216.66 g/mol
LogP1.25
Rot. Bonds3

About 3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol

3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol (PubChem CID 142768144) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol
PubChem CID142768144
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol
SMILESCc1cc(Cl)cc(CC(O)CO)c1O
InChIInChI=1S/C10H13ClO3/c1-6-2-8(11)3-7(10(6)14)4-9(13)5-12/h2-3,9,12-14H,4-5H2,1H3
InChIKeyARHAXCALRCDQCX-UHFFFAOYSA-N
XLogP1.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol?
The IUPAC name of 3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol (CID 142768144) is 3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol.
What is the SMILES notation for 3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol?
The canonical SMILES for 3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol is Cc1cc(Cl)cc(CC(O)CO)c1O.
What is the InChIKey of 3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol?
The InChIKey is ARHAXCALRCDQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-6-2-8(11)3-7(10(6)14)4-9(13)5-12/h2-3,9,12-14H,4-5H2,1H3.
What are the key properties of 3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol?
3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol has a molecular weight of 216.66 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol is sourced from PubChem (CID 142768144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).