2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid

C19H22O5 — CID 10246057

IUPAC2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C19H22O5/c1-11(2)16-9-14(5-6-17(16)20)24-19-12(3)7-15(8-13(19)4)23-10-18(21)22/h5-9,11,20H,10H2,1-4H3,(H,21,22)
InChIKeyOVTCIUMSNPONAS-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.39
Rot. Bonds6

About 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid

2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid (PubChem CID 10246057) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid
PubChem CID10246057
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C19H22O5/c1-11(2)16-9-14(5-6-17(16)20)24-19-12(3)7-15(8-13(19)4)23-10-18(21)22/h5-9,11,20H,10H2,1-4H3,(H,21,22)
InChIKeyOVTCIUMSNPONAS-UHFFFAOYSA-N
XLogP4.39
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sobetirome
CID 9862248
GC-24
CID 448011
2-(4-Biphenylyloxy)propionic acid
CID 101181
(2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid
CID 83411
(1,1'-Biphenyl)-2,5-diol, 2,5-diacetate
CID 94584
2-(3-Pentadecylphenoxy)acetic acid
CID 203275
2-(2-Benzylphenoxy)acetic acid
CID 1991436
2-(2-Phenylphenoxy)acetic acid
CID 219688
2-(2-Cyclohexylphenoxy)acetic acid
CID 346737
(2-Cyclohexyl-4-methoxyphenoxy)acetic acid
CID 11587023
2-(2-Cyclohexyl-4-fluorophenoxy)acetic acid
CID 44441190
2-(2-Cyclohexyl-4-methylphenoxy)acetic acid
CID 44441192

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid?
The IUPAC name of 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid (CID 10246057) is 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid?
The canonical SMILES for 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid is Cc1cc(OCC(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid?
The InChIKey is OVTCIUMSNPONAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-11(2)16-9-14(5-6-17(16)20)24-19-12(3)7-15(8-13(19)4)23-10-18(21)22/h5-9,11,20H,10H2,1-4H3,(H,21,22).
What are the key properties of 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid?
2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid has a molecular weight of 330.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]acetic acid is sourced from PubChem (CID 10246057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).