4-[(4-propan-2-ylphenyl)methoxy]benzoate

C17H17O3- — CID 7101920

IUPAC4-[(4-propan-2-ylphenyl)methoxy]benzoate
SMILESCC(C)c1ccc(COc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C17H18O3/c1-12(2)14-5-3-13(4-6-14)11-20-16-9-7-15(8-10-16)17(18)19/h3-10,12H,11H2,1-2H3,(H,18,19)/p-1
InChIKeyHJPCWFVDMPJKPE-UHFFFAOYSA-M
MW269.32 g/mol
LogP2.75
Rot. Bonds5

About 4-[(4-propan-2-ylphenyl)methoxy]benzoate

4-[(4-propan-2-ylphenyl)methoxy]benzoate (PubChem CID 7101920) has the molecular formula C17H17O3- and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)methoxy]benzoate.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)methoxy]benzoate
PubChem CID7101920
Molecular FormulaC17H17O3-
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name4-[(4-propan-2-ylphenyl)methoxy]benzoate
SMILESCC(C)c1ccc(COc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C17H18O3/c1-12(2)14-5-3-13(4-6-14)11-20-16-9-7-15(8-10-16)17(18)19/h3-10,12H,11H2,1-2H3,(H,18,19)/p-1
InChIKeyHJPCWFVDMPJKPE-UHFFFAOYSA-M
XLogP2.75
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-propylphenoxy)methyl]benzoate
CID 2336592
lithium 4-propan-2-ylbenzoate
CID 58547643
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
4-[(3,4-dimethylphenoxy)methyl]benzoate
CID 4053070
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate
CID 52688698
sodium 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 23698334
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 60799873
5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate
CID 5147336

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)methoxy]benzoate?
The IUPAC name of 4-[(4-propan-2-ylphenyl)methoxy]benzoate (CID 7101920) is 4-[(4-propan-2-ylphenyl)methoxy]benzoate.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)methoxy]benzoate?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)methoxy]benzoate is CC(C)c1ccc(COc2ccc(C(=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)methoxy]benzoate?
The InChIKey is HJPCWFVDMPJKPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18O3/c1-12(2)14-5-3-13(4-6-14)11-20-16-9-7-15(8-10-16)17(18)19/h3-10,12H,11H2,1-2H3,(H,18,19)/p-1.
What are the key properties of 4-[(4-propan-2-ylphenyl)methoxy]benzoate?
4-[(4-propan-2-ylphenyl)methoxy]benzoate has a molecular weight of 269.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)methoxy]benzoate is sourced from PubChem (CID 7101920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).