(4-methylphenoxy)methyl benzoate

C15H14O3 — CID 10444404

IUPAC(4-methylphenoxy)methyl benzoate
SMILESCc1ccc(OCOC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O3/c1-12-7-9-14(10-8-12)17-11-18-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeySCISXLYQBYZPKK-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.19
Rot. Bonds4

About (4-methylphenoxy)methyl benzoate

(4-methylphenoxy)methyl benzoate (PubChem CID 10444404) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (4-methylphenoxy)methyl benzoate.

Molecular Properties

Compound Name(4-methylphenoxy)methyl benzoate
PubChem CID10444404
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(4-methylphenoxy)methyl benzoate
SMILESCc1ccc(OCOC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O3/c1-12-7-9-14(10-8-12)17-11-18-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeySCISXLYQBYZPKK-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

phenyl 4-[(4-methylphenoxy)methoxy]benzoate
CID 21306270
1-methyl-4-[(4-methylphenoxy)methoxy]benzene;1-methyl-4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]benzene
CID 158021334
ethyl benzoate;toluene
CID 23150750
(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
CID 134487475
ethane;[4-[(4-methylphenoxy)methoxy]phenyl] 4-methylbenzoate
CID 90859529
[4-(phenoxymethoxy)phenyl] benzoate
CID 20724331
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
5-[4-(5-benzoyloxypentoxy)phenoxy]pentyl benzoate
CID 139725792
CID 158970570
CID 158970570
(4-methylphenyl)sulfanylmethyl benzoate
CID 90458733
(4-ethoxyphenyl)methyl benzoate
CID 91595481

Frequently Asked Questions

What is the IUPAC name of (4-methylphenoxy)methyl benzoate?
The IUPAC name of (4-methylphenoxy)methyl benzoate (CID 10444404) is (4-methylphenoxy)methyl benzoate.
What is the SMILES notation for (4-methylphenoxy)methyl benzoate?
The canonical SMILES for (4-methylphenoxy)methyl benzoate is Cc1ccc(OCOC(=O)c2ccccc2)cc1.
What is the InChIKey of (4-methylphenoxy)methyl benzoate?
The InChIKey is SCISXLYQBYZPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-12-7-9-14(10-8-12)17-11-18-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of (4-methylphenoxy)methyl benzoate?
(4-methylphenoxy)methyl benzoate has a molecular weight of 242.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenoxy)methyl benzoate is sourced from PubChem (CID 10444404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).