2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid

C24H24O7 — CID 102255892

IUPAC2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid
SMILESCOc1cc(OC)cc(-c2c(OCC(=O)O)cc(CO)cc2OCc2ccccc2)c1
InChIInChI=1S/C24H24O7/c1-28-19-10-18(11-20(12-19)29-2)24-21(30-14-16-6-4-3-5-7-16)8-17(13-25)9-22(24)31-15-23(26)27/h3-12,25H,13-15H2,1-2H3,(H,26,27)
InChIKeyKVPBDRDEXIXVOX-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.91
Rot. Bonds10

About 2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid

2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid (PubChem CID 102255892) has the molecular formula C24H24O7 and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid
PubChem CID102255892
Molecular FormulaC24H24O7
Molecular Weight424.45 g/mol
Exact Mass424.15
IUPAC Name2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid
SMILESCOc1cc(OC)cc(-c2c(OCC(=O)O)cc(CO)cc2OCc2ccccc2)c1
InChIInChI=1S/C24H24O7/c1-28-19-10-18(11-20(12-19)29-2)24-21(30-14-16-6-4-3-5-7-16)8-17(13-25)9-22(24)31-15-23(26)27/h3-12,25H,13-15H2,1-2H3,(H,26,27)
InChIKeyKVPBDRDEXIXVOX-UHFFFAOYSA-N
XLogP3.91
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone
CID 101175069
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
2-[1-[2-[[4-[[1-[2-(hydroxymethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetic acid
CID 169262013
2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid
CID 70080910
3-(4-methoxyphenyl)-2,6-dimethyl-4-phenylmethoxypyridine
CID 15171436
2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid
CID 91433823
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid (CID 102255892) is 2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid is COc1cc(OC)cc(-c2c(OCC(=O)O)cc(CO)cc2OCc2ccccc2)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid?
The InChIKey is KVPBDRDEXIXVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O7/c1-28-19-10-18(11-20(12-19)29-2)24-21(30-14-16-6-4-3-5-7-16)8-17(13-25)9-22(24)31-15-23(26)27/h3-12,25H,13-15H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid?
2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid has a molecular weight of 424.45 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-3-phenylmethoxyphenoxy]acetic acid is sourced from PubChem (CID 102255892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).