2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone

C22H20O4 — CID 101175069

IUPAC2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone
SMILESO=C(COc1cc(CO)cc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H20O4/c23-14-18-11-20(25-15-17-7-3-1-4-8-17)13-21(12-18)26-16-22(24)19-9-5-2-6-10-19/h1-13,23H,14-16H2
InChIKeyCQVGBSIAUWITKC-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.02
Rot. Bonds8

About 2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone

2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone (PubChem CID 101175069) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone
PubChem CID101175069
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone
SMILESO=C(COc1cc(CO)cc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H20O4/c23-14-18-11-20(25-15-17-7-3-1-4-8-17)13-21(12-18)26-16-22(24)19-9-5-2-6-10-19/h1-13,23H,14-16H2
InChIKeyCQVGBSIAUWITKC-UHFFFAOYSA-N
XLogP4.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone 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

[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
3,5-bis(phenylmethoxy)benzoate
CID 6986896
phenol;2-phenoxy-1-phenylethanone
CID 161484281
3-[4-[(4-phenacyloxyphenyl)methoxy]phenyl]propanamide
CID 66685338
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 101008055
(3-hydroxy-5-phenylmethoxyphenyl)-phenylmethanone
CID 71119902
N-(2-hydroxyethyl)-3,5-bis(phenylmethoxy)benzamide
CID 171338561
[3-[[3,5-bis[[3,5-bis(hydroxymethyl)phenyl]methoxy]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methanol
CID 101251807

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone?
The IUPAC name of 2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone (CID 101175069) is 2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone.
What is the SMILES notation for 2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone?
The canonical SMILES for 2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone is O=C(COc1cc(CO)cc(OCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone?
The InChIKey is CQVGBSIAUWITKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c23-14-18-11-20(25-15-17-7-3-1-4-8-17)13-21(12-18)26-16-22(24)19-9-5-2-6-10-19/h1-13,23H,14-16H2.
What are the key properties of 2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone?
2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone has a molecular weight of 348.40 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone is sourced from PubChem (CID 101175069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).