2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid

C26H26O5 — CID 59820336

IUPAC2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid
SMILESCCOc1ccc(-c2cccc(Oc3cc(CC(=O)O)cc(OCC4CC4)c3)c2)cc1
InChIInChI=1S/C26H26O5/c1-2-29-22-10-8-20(9-11-22)21-4-3-5-23(15-21)31-25-13-19(14-26(27)28)12-24(16-25)30-17-18-6-7-18/h3-5,8-13,15-16,18H,2,6-7,14,17H2,1H3,(H,27,28)
InChIKeyFYDKTJPYTNSIPL-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.96
Rot. Bonds10

About 2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid

2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid (PubChem CID 59820336) has the molecular formula C26H26O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid
PubChem CID59820336
Molecular FormulaC26H26O5
Molecular Weight418.49 g/mol
Exact Mass418.18
IUPAC Name2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid
SMILESCCOc1ccc(-c2cccc(Oc3cc(CC(=O)O)cc(OCC4CC4)c3)c2)cc1
InChIInChI=1S/C26H26O5/c1-2-29-22-10-8-20(9-11-22)21-4-3-5-23(15-21)31-25-13-19(14-26(27)28)12-24(16-25)30-17-18-6-7-18/h3-5,8-13,15-16,18H,2,6-7,14,17H2,1H3,(H,27,28)
InChIKeyFYDKTJPYTNSIPL-UHFFFAOYSA-N
XLogP5.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
CID 59820537
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
2-[3-ethoxy-5-[3-[2-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
CID 59820289
2-[3-methoxy-5-[3-[4-(trifluoromethoxy)phenyl]phenoxy]phenyl]acetic acid
CID 25062184
2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide
CID 72874618
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
2-[3-[3-[(Z)-3-amino-1-(methylamino)prop-1-en-2-yl]phenoxy]-5-ethoxyphenyl]acetic acid
CID 71213055
2-[3-[4-[3-(4-ethoxyphenyl)prop-2-ynoxy]phenyl]phenyl]acetic acid
CID 59219336
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone
CID 119069998
2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid
CID 59803473
2-[3,5-dichloro-4-[3-(3-ethoxyphenyl)-4-hydroxyphenoxy]phenyl]acetic acid
CID 69038710
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid (CID 59820336) is 2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid is CCOc1ccc(-c2cccc(Oc3cc(CC(=O)O)cc(OCC4CC4)c3)c2)cc1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid?
The InChIKey is FYDKTJPYTNSIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O5/c1-2-29-22-10-8-20(9-11-22)21-4-3-5-23(15-21)31-25-13-19(14-26(27)28)12-24(16-25)30-17-18-6-7-18/h3-5,8-13,15-16,18H,2,6-7,14,17H2,1H3,(H,27,28).
What are the key properties of 2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid?
2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid has a molecular weight of 418.49 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 59820336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).