3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid

C26H26O8 — CID 10766624

IUPAC3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid
SMILESCOc1cc(CCOC(c2ccccc2)(c2ccccc2)C(O)C(=O)O)ccc1OCC(=O)O
InChIInChI=1S/C26H26O8/c1-32-22-16-18(12-13-21(22)33-17-23(27)28)14-15-34-26(24(29)25(30)31,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,16,24,29H,14-15,17H2,1H3,(H,27,28)(H,30,31)
InChIKeyRQARXOCSBYDLMH-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.11
Rot. Bonds12

About 3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid

3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid (PubChem CID 10766624) has the molecular formula C26H26O8 and a molecular weight of 466.49 g/mol. Its IUPAC name is 3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid
PubChem CID10766624
Molecular FormulaC26H26O8
Molecular Weight466.49 g/mol
Exact Mass466.16
IUPAC Name3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid
SMILESCOc1cc(CCOC(c2ccccc2)(c2ccccc2)C(O)C(=O)O)ccc1OCC(=O)O
InChIInChI=1S/C26H26O8/c1-32-22-16-18(12-13-21(22)33-17-23(27)28)14-15-34-26(24(29)25(30)31,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,16,24,29H,14-15,17H2,1H3,(H,27,28)(H,30,31)
InChIKeyRQARXOCSBYDLMH-UHFFFAOYSA-N
XLogP3.11
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethoxy]-2-hydroxy-3,3-diphenylpropanoate
CID 10837265
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
methyl 3-[2-(3,4-dimethoxyphenyl)ethoxy]-3,3-bis(4-ethylphenyl)-2-hydroxypropanoate
CID 10743745
2-(4-heptyl-2-methoxyphenoxy)acetic acid
CID 154352108
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
2-[4-[2-(benzenesulfonamido)propyl]-2-methoxyphenoxy]acetic acid
CID 14579454
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]propanoic acid
CID 66527971
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate
CID 7139445

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid?
The IUPAC name of 3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid (CID 10766624) is 3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid.
What is the SMILES notation for 3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid?
The canonical SMILES for 3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid is COc1cc(CCOC(c2ccccc2)(c2ccccc2)C(O)C(=O)O)ccc1OCC(=O)O.
What is the InChIKey of 3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid?
The InChIKey is RQARXOCSBYDLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O8/c1-32-22-16-18(12-13-21(22)33-17-23(27)28)14-15-34-26(24(29)25(30)31,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,16,24,29H,14-15,17H2,1H3,(H,27,28)(H,30,31).
What are the key properties of 3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid?
3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid has a molecular weight of 466.49 g/mol, XLogP of 3.11, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(carboxymethoxy)-3-methoxyphenyl]ethoxy]-2-hydroxy-3,3-diphenylpropanoic acid is sourced from PubChem (CID 10766624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).