4-phenylmethoxy-2-propan-2-ylbenzoic acid

C17H18O3 — CID 23134235

IUPAC4-phenylmethoxy-2-propan-2-ylbenzoic acid
SMILESCC(C)c1cc(OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C17H18O3/c1-12(2)16-10-14(8-9-15(16)17(18)19)20-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKeyNRNKYQJJJPFMBX-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.09
Rot. Bonds5

About 4-phenylmethoxy-2-propan-2-ylbenzoic acid

4-phenylmethoxy-2-propan-2-ylbenzoic acid (PubChem CID 23134235) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-phenylmethoxy-2-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name4-phenylmethoxy-2-propan-2-ylbenzoic acid
PubChem CID23134235
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-phenylmethoxy-2-propan-2-ylbenzoic acid
SMILESCC(C)c1cc(OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C17H18O3/c1-12(2)16-10-14(8-9-15(16)17(18)19)20-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKeyNRNKYQJJJPFMBX-UHFFFAOYSA-N
XLogP4.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid
CID 70159916
ethane;4-phenylmethoxyphthalic acid
CID 90802135
4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
CID 155925871
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
2-(1-fluorodecyl)-4-phenylmethoxybenzoic acid
CID 67798718
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
CID 90976255
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-2-propan-2-ylbenzoic acid?
The IUPAC name of 4-phenylmethoxy-2-propan-2-ylbenzoic acid (CID 23134235) is 4-phenylmethoxy-2-propan-2-ylbenzoic acid.
What is the SMILES notation for 4-phenylmethoxy-2-propan-2-ylbenzoic acid?
The canonical SMILES for 4-phenylmethoxy-2-propan-2-ylbenzoic acid is CC(C)c1cc(OCc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 4-phenylmethoxy-2-propan-2-ylbenzoic acid?
The InChIKey is NRNKYQJJJPFMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(2)16-10-14(8-9-15(16)17(18)19)20-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,18,19).
What are the key properties of 4-phenylmethoxy-2-propan-2-ylbenzoic acid?
4-phenylmethoxy-2-propan-2-ylbenzoic acid has a molecular weight of 270.33 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-2-propan-2-ylbenzoic acid is sourced from PubChem (CID 23134235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).