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

C17H18O4 — CID 123385522

IUPAC2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1Oc1cc(C)c(O)c(C)c1
InChIInChI=1S/C17H18O4/c1-10-6-13(9-16(18)19)4-5-15(10)21-14-7-11(2)17(20)12(3)8-14/h4-8,20H,9H2,1-3H3,(H,18,19)
InChIKeyDPNPMRCXCWUROV-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.74
Rot. Bonds4

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

2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid (PubChem CID 123385522) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid
PubChem CID123385522
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1Oc1cc(C)c(O)c(C)c1
InChIInChI=1S/C17H18O4/c1-10-6-13(9-16(18)19)4-5-15(10)21-14-7-11(2)17(20)12(3)8-14/h4-8,20H,9H2,1-3H3,(H,18,19)
InChIKeyDPNPMRCXCWUROV-UHFFFAOYSA-N
XLogP3.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid
CID 143752223
ethane;2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenyl]acetic acid
CID 143661194
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051629
2-[4-(4-hydroxy-3-iodo-5-methylphenoxy)-3-iodo-5-methylphenyl]acetic acid
CID 71113040
2-[4-[4-[4-(4-chlorophenyl)butanoyl]phenoxy]-3-methylphenyl]acetic acid
CID 146993998
2-[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]acetic acid
CID 21079732
2-[4-[4-(4-hydroxy-3,5-dimethylphenyl)-2-oxobut-3-enoxy]phenyl]acetic acid
CID 54263383
1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one
CID 158431714
2-[3-bromo-4-(4-hydroxy-3-phenoxyphenoxy)-5-methylphenyl]acetic acid
CID 67534294
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid?
The IUPAC name of 2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid (CID 123385522) is 2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid.
What is the SMILES notation for 2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid?
The canonical SMILES for 2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid is Cc1cc(CC(=O)O)ccc1Oc1cc(C)c(O)c(C)c1.
What is the InChIKey of 2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid?
The InChIKey is DPNPMRCXCWUROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-10-6-13(9-16(18)19)4-5-15(10)21-14-7-11(2)17(20)12(3)8-14/h4-8,20H,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid?
2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid is sourced from PubChem (CID 123385522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).