2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol

C11H15ClO3 — CID 103985263

IUPAC2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol
SMILESCOCC(CO)(CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO3/c1-15-8-11(6-13,7-14)9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3
InChIKeyWLSDUOBRGLLZJR-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.21
Rot. Bonds5

About 2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol

2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol (PubChem CID 103985263) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol
PubChem CID103985263
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol
SMILESCOCC(CO)(CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO3/c1-15-8-11(6-13,7-14)9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3
InChIKeyWLSDUOBRGLLZJR-UHFFFAOYSA-N
XLogP1.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-(2-ethylsulfonylethyl)propane-1,3-diol
CID 79450052
2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79450583
2-(4-chlorophenyl)-2-[(2,5-difluorophenyl)methyl]propane-1,3-diol
CID 79444445
2-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methyl]propane-1,3-diol
CID 82927101
2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol
CID 146201622
2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 114349965
1-chloro-4-[1-chloro-2-(chloromethyl)butan-2-yl]benzene
CID 79453553
(2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol
CID 92953615
2-bromo-3-(4-chlorophenyl)-2-(methoxymethyl)-3-oxopropanenitrile
CID 25223748
2-[(5-chloro-2-fluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 103051451
2-(4-chlorophenyl)-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450489
ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
CID 156647383

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol?
The IUPAC name of 2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol (CID 103985263) is 2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol is COCC(CO)(CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol?
The InChIKey is WLSDUOBRGLLZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-15-8-11(6-13,7-14)9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol?
2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol has a molecular weight of 230.69 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol is sourced from PubChem (CID 103985263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).