1-(2-phenylmethoxyphenyl)propane-1,2,3-triol

C16H18O4 — CID 170819028

IUPAC1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C16H18O4/c17-10-14(18)16(19)13-8-4-5-9-15(13)20-11-12-6-2-1-3-7-12/h1-9,14,16-19H,10-11H2
InChIKeyKSSZHWNJGLGEGK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.65
Rot. Bonds6

About 1-(2-phenylmethoxyphenyl)propane-1,2,3-triol

1-(2-phenylmethoxyphenyl)propane-1,2,3-triol (PubChem CID 170819028) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-phenylmethoxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
PubChem CID170819028
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C16H18O4/c17-10-14(18)16(19)13-8-4-5-9-15(13)20-11-12-6-2-1-3-7-12/h1-9,14,16-19H,10-11H2
InChIKeyKSSZHWNJGLGEGK-UHFFFAOYSA-N
XLogP1.65
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol
CID 170819149
1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819017
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233
4-hydroxy-2-oxo-4-(2-phenylmethoxyphenyl)butanoic acid
CID 46843530
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
CID 171251128
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
CID 171251122
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
(4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol
CID 67459729

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxyphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(2-phenylmethoxyphenyl)propane-1,2,3-triol (CID 170819028) is 1-(2-phenylmethoxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-phenylmethoxyphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-phenylmethoxyphenyl)propane-1,2,3-triol is OCC(O)C(O)c1ccccc1OCc1ccccc1.
What is the InChIKey of 1-(2-phenylmethoxyphenyl)propane-1,2,3-triol?
The InChIKey is KSSZHWNJGLGEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c17-10-14(18)16(19)13-8-4-5-9-15(13)20-11-12-6-2-1-3-7-12/h1-9,14,16-19H,10-11H2.
What are the key properties of 1-(2-phenylmethoxyphenyl)propane-1,2,3-triol?
1-(2-phenylmethoxyphenyl)propane-1,2,3-triol has a molecular weight of 274.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170819028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).