4-[(3,4-dimethylphenoxy)methyl]benzoate

C16H15O3- — CID 4053070

IUPAC4-[(3,4-dimethylphenoxy)methyl]benzoate
SMILESCc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1C
InChIInChI=1S/C16H16O3/c1-11-3-8-15(9-12(11)2)19-10-13-4-6-14(7-5-13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)/p-1
InChIKeyJZRVWERFZKKVPQ-UHFFFAOYSA-M
MW255.29 g/mol
LogP2.25
Rot. Bonds4

About 4-[(3,4-dimethylphenoxy)methyl]benzoate

4-[(3,4-dimethylphenoxy)methyl]benzoate (PubChem CID 4053070) has the molecular formula C16H15O3- and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]benzoate.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]benzoate
PubChem CID4053070
Molecular FormulaC16H15O3-
Molecular Weight255.29 g/mol
Exact Mass255.10
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]benzoate
SMILESCc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1C
InChIInChI=1S/C16H16O3/c1-11-3-8-15(9-12(11)2)19-10-13-4-6-14(7-5-13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)/p-1
InChIKeyJZRVWERFZKKVPQ-UHFFFAOYSA-M
XLogP2.25
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-propylphenoxy)methyl]benzoate
CID 2336592
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide
CID 105351415
4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 7101920
4-[(2,4-dimethylphenoxy)methyl]benzoate
CID 7017094
[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 894880
4-[(3,4-dimethylphenoxy)methyl]-N-(2-ethylphenyl)benzamide
CID 1303331
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
4-[(4-bromo-3-methylphenoxy)methyl]benzamide
CID 81300987
methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601
octapotassium;4-[[3-[[3-[(Z)-2-[3,5-bis[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenyl]ethenyl]-5-[[3,5-bis[(4-carboxylatophenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxylatophenyl)methoxy]phenoxy]methyl]benzoate
CID 101223324
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
4-[(4-hexylphenyl)methoxy]-1,2-dimethylbenzene
CID 59265322

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]benzoate?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]benzoate (CID 4053070) is 4-[(3,4-dimethylphenoxy)methyl]benzoate.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]benzoate?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]benzoate is Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]benzoate?
The InChIKey is JZRVWERFZKKVPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16O3/c1-11-3-8-15(9-12(11)2)19-10-13-4-6-14(7-5-13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)/p-1.
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]benzoate?
4-[(3,4-dimethylphenoxy)methyl]benzoate has a molecular weight of 255.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]benzoate is sourced from PubChem (CID 4053070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).