2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid

C19H22O5 — CID 70410020

IUPAC2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid
SMILESCc1ccccc1COCCC(C)(Oc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C19H22O5/c1-14-5-3-4-6-15(14)13-23-12-11-19(2,18(21)22)24-17-9-7-16(20)8-10-17/h3-10,20H,11-13H2,1-2H3,(H,21,22)
InChIKeyANUABZZTYFNFOQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.53
Rot. Bonds8

About 2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid

2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid (PubChem CID 70410020) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid
PubChem CID70410020
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid
SMILESCc1ccccc1COCCC(C)(Oc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C19H22O5/c1-14-5-3-4-6-15(14)13-23-12-11-19(2,18(21)22)24-17-9-7-16(20)8-10-17/h3-10,20H,11-13H2,1-2H3,(H,21,22)
InChIKeyANUABZZTYFNFOQ-UHFFFAOYSA-N
XLogP3.53
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-bromophenyl)methoxy]-2-(4-hydroxyphenoxy)-2-methylbutanoic acid
CID 70537207
2-(4-hydroxyphenoxy)-2-methyl-3-[(2-methylphenyl)methoxy]butanoic acid
CID 70410018
4-[2-[(2-methylphenyl)methoxy]ethoxy]benzoic acid
CID 143158497
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
4-[(2-chlorophenyl)methylsulfonyl]-2-(4-hydroxyphenoxy)-2-methylbutanoic acid
CID 70409293
2-bromo-2-chloro-5-[(2-methylphenyl)methoxy]pentanoic acid
CID 70458740
4-[(4-chlorophenyl)methylsulfanyl]-2-(4-hydroxyphenoxy)-2-methylbutanoic acid
CID 70486056
2-[(3-methoxy-3-methylbutoxy)methyl]benzoic acid
CID 106664742
2-(3,4-dimethylphenoxy)-2-methylpentanoic acid
CID 114992362
4-bromo-3-[(2-methylphenyl)methoxy]benzoic acid
CID 114103815
ethane;1-methyl-2-(propoxymethyl)benzene
CID 144908346
2,2-dimethyl-4-(2-methylphenyl)butanoic acid
CID 15063545

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid?
The IUPAC name of 2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid (CID 70410020) is 2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid.
What is the SMILES notation for 2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid?
The canonical SMILES for 2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid is Cc1ccccc1COCCC(C)(Oc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid?
The InChIKey is ANUABZZTYFNFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-14-5-3-4-6-15(14)13-23-12-11-19(2,18(21)22)24-17-9-7-16(20)8-10-17/h3-10,20H,11-13H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid?
2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-2-methyl-4-[(2-methylphenyl)methoxy]butanoic acid is sourced from PubChem (CID 70410020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).