2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid

C17H17ClO3 — CID 20571883

IUPAC2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1cccc(Cc2ccc(Cl)cc2)c1)C(=O)O
InChIInChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-15-5-3-4-13(11-15)10-12-6-8-14(18)9-7-12/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyNHVJRAUOXTZHNX-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.17
Rot. Bonds5

About 2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid

2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid (PubChem CID 20571883) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid
PubChem CID20571883
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1cccc(Cc2ccc(Cl)cc2)c1)C(=O)O
InChIInChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-15-5-3-4-13(11-15)10-12-6-8-14(18)9-7-12/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyNHVJRAUOXTZHNX-UHFFFAOYSA-N
XLogP4.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate
CID 141244068
CID 131878857
CID 131878857
3-[(4-chlorophenyl)methyl]benzoic acid
CID 116927110
2-methyl-2-[3-[2-(4-phenylmethoxyphenyl)ethyl]phenoxy]propanoic acid
CID 159395535
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
CID 3044350
2-[4-[2-[4-[(4-chlorophenyl)diazenyl]phenoxy]ethyl]phenoxy]-2-methylpropanoic acid
CID 155535303
2-[[3-[2-(4-chlorophenyl)ethyl]-2-methyl-1H-indol-5-yl]oxy]-2-methylpropanoic acid
CID 20529134
2-methyl-2-[3-[3-(4-methylsulfonyloxyphenoxy)propyl]phenoxy]propanoic acid
CID 58857341
2-(3-chlorophenoxy)-2-methylpropanoate
CID 7686050
3-[3-(3-aminopropyl)phenoxy]-3-methylbutan-2-one
CID 20605201
1-chloro-4-[(3-ethylphenyl)methyl]benzene
CID 142052916
2-[3-[1-(4-chlorophenyl)sulfonyl-4-hydroxypiperidin-4-yl]phenoxy]-2-methylpropanoic acid
CID 10694998

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid (CID 20571883) is 2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid is CC(C)(Oc1cccc(Cc2ccc(Cl)cc2)c1)C(=O)O.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is NHVJRAUOXTZHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-15-5-3-4-13(11-15)10-12-6-8-14(18)9-7-12/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid?
2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 304.77 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 20571883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).