2-(5-chloro-2-methoxyphenyl)propane-1,3-diol

C10H13ClO3 — CID 82113852

IUPAC2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(Cl)cc1C(CO)CO
InChIInChI=1S/C10H13ClO3/c1-14-10-3-2-8(11)4-9(10)7(5-12)6-13/h2-4,7,12-13H,5-6H2,1H3
InChIKeyPNALCRDVQRWNQF-UHFFFAOYSA-N
MW216.66 g/mol
LogP1.42
Rot. Bonds4

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

2-(5-chloro-2-methoxyphenyl)propane-1,3-diol (PubChem CID 82113852) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
PubChem CID82113852
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(Cl)cc1C(CO)CO
InChIInChI=1S/C10H13ClO3/c1-14-10-3-2-8(11)4-9(10)7(5-12)6-13/h2-4,7,12-13H,5-6H2,1H3
InChIKeyPNALCRDVQRWNQF-UHFFFAOYSA-N
XLogP1.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-methoxyphenyl)propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835574
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171244642
2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene
CID 82091358
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide
CID 112509592
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 104546198
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)propane-1,3-diol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)propane-1,3-diol (CID 82113852) is 2-(5-chloro-2-methoxyphenyl)propane-1,3-diol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)propane-1,3-diol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)propane-1,3-diol is COc1ccc(Cl)cc1C(CO)CO.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)propane-1,3-diol?
The InChIKey is PNALCRDVQRWNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-14-10-3-2-8(11)4-9(10)7(5-12)6-13/h2-4,7,12-13H,5-6H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)propane-1,3-diol?
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol has a molecular weight of 216.66 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)propane-1,3-diol is sourced from PubChem (CID 82113852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).