2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol

C11H16O4 — CID 175668445

IUPAC2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(C(CO)(CO)CO)cc1
InChIInChI=1S/C11H16O4/c1-15-10-4-2-9(3-5-10)11(6-12,7-13)8-14/h2-5,12-14H,6-8H2,1H3
InChIKeyMSCJJMVUMLPHNE-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.09
Rot. Bonds5

About 2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol

2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol (PubChem CID 175668445) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
PubChem CID175668445
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(C(CO)(CO)CO)cc1
InChIInChI=1S/C11H16O4/c1-15-10-4-2-9(3-5-10)11(6-12,7-13)8-14/h2-5,12-14H,6-8H2,1H3
InChIKeyMSCJJMVUMLPHNE-UHFFFAOYSA-N
XLogP-0.09
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-(4-methoxyphenyl)propan-1-ol
CID 105449931
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid
CID 178069043
3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol
CID 66090969
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
CID 62596783
N-[2-(4-methoxyphenyl)propan-2-yl]-N-methylhydroxylamine
CID 82606296
(1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium
CID 6994569
(4-methoxyphenoxy)methanol
CID 20580272
(4-methoxyphenyl)methanol
CID 7738
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol (CID 175668445) is 2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol is COc1ccc(C(CO)(CO)CO)cc1.
What is the InChIKey of 2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol?
The InChIKey is MSCJJMVUMLPHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-15-10-4-2-9(3-5-10)11(6-12,7-13)8-14/h2-5,12-14H,6-8H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol?
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol has a molecular weight of 212.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol is sourced from PubChem (CID 175668445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).