1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol

C16H18O5 — CID 170819017

IUPAC1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C16H18O5/c17-9-15(19)16(20)13-7-6-12(8-14(13)18)21-10-11-4-2-1-3-5-11/h1-8,15-20H,9-10H2
InChIKeyGKUDAKZLYJGVPZ-UHFFFAOYSA-N
MW290.31 g/mol
LogP1.36
Rot. Bonds6

About 1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol

1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol (PubChem CID 170819017) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
PubChem CID170819017
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C16H18O5/c17-9-15(19)16(20)13-7-6-12(8-14(13)18)21-10-11-4-2-1-3-5-11/h1-8,15-20H,9-10H2
InChIKeyGKUDAKZLYJGVPZ-UHFFFAOYSA-N
XLogP1.36
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
CID 170825141
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanenitrile
CID 171871416
2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
CID 171234127
1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819028
2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214501
2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
CID 171214502
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
CID 171214455
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate
CID 170835359
2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214474

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol (CID 170819017) is 1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol is OCC(O)C(O)c1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol?
The InChIKey is GKUDAKZLYJGVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c17-9-15(19)16(20)13-7-6-12(8-14(13)18)21-10-11-4-2-1-3-5-11/h1-8,15-20H,9-10H2.
What are the key properties of 1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol?
1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol has a molecular weight of 290.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170819017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).