2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid

C24H24O4 — CID 11617753

IUPAC2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid
SMILESCC(C)Oc1ccc(-c2cc(CC(=O)O)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H24O4/c1-17(2)28-22-10-8-20(9-11-22)21-12-19(14-24(25)26)13-23(15-21)27-16-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,25,26)
InChIKeySQVCSTUFYPMTRN-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.35
Rot. Bonds8

About 2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid

2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid (PubChem CID 11617753) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid
PubChem CID11617753
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid
SMILESCC(C)Oc1ccc(-c2cc(CC(=O)O)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H24O4/c1-17(2)28-22-10-8-20(9-11-22)21-12-19(14-24(25)26)13-23(15-21)27-16-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,25,26)
InChIKeySQVCSTUFYPMTRN-UHFFFAOYSA-N
XLogP5.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid?
The IUPAC name of 2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid (CID 11617753) is 2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid is CC(C)Oc1ccc(-c2cc(CC(=O)O)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid?
The InChIKey is SQVCSTUFYPMTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-17(2)28-22-10-8-20(9-11-22)21-12-19(14-24(25)26)13-23(15-21)27-16-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid?
2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid has a molecular weight of 376.45 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid is sourced from PubChem (CID 11617753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).