(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate

C19H22O3 — CID 70968645

IUPAC(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c1-19(2,3)18(20)22-14-16-9-11-17(12-10-16)21-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3
InChIKeyQRAZZQWMYXKMLJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.35
Rot. Bonds5

About (4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate

(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate (PubChem CID 70968645) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
PubChem CID70968645
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c1-19(2,3)18(20)22-14-16-9-11-17(12-10-16)21-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3
InChIKeyQRAZZQWMYXKMLJ-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2,2-dimethylpropanoyloxymethoxy-[(4-phenylmethoxyphenyl)methyl]phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 177089316
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
benzyl 4-[4-(3,3-dimethyl-4-oxo-4-phenylmethoxybutoxy)phenoxy]-2,2-dimethylbutanoate
CID 10164871
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid
CID 57045753
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
(2R)-3-ethoxy-2-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 101480008
4-phenylmethoxybenzoic acid
CID 68896574
benzyl 2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoate
CID 138549970
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate (CID 70968645) is (4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate?
The InChIKey is QRAZZQWMYXKMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-19(2,3)18(20)22-14-16-9-11-17(12-10-16)21-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3.
What are the key properties of (4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate?
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate has a molecular weight of 298.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 70968645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).