(4-methoxyphenyl)methoxymethyl 4-methylbenzoate

C17H18O4 — CID 15498572

IUPAC(4-methoxyphenyl)methoxymethyl 4-methylbenzoate
SMILESCOc1ccc(COCOC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18O4/c1-13-3-7-15(8-4-13)17(18)21-12-20-11-14-5-9-16(19-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyKAMCQJRPGTULGW-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.33
Rot. Bonds6

About (4-methoxyphenyl)methoxymethyl 4-methylbenzoate

(4-methoxyphenyl)methoxymethyl 4-methylbenzoate (PubChem CID 15498572) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (4-methoxyphenyl)methoxymethyl 4-methylbenzoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methoxymethyl 4-methylbenzoate
PubChem CID15498572
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(4-methoxyphenyl)methoxymethyl 4-methylbenzoate
SMILESCOc1ccc(COCOC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18O4/c1-13-3-7-15(8-4-13)17(18)21-12-20-11-14-5-9-16(19-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyKAMCQJRPGTULGW-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
CID 134487475
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-tert-butylphenyl)methyl 4-methylbenzoate
CID 926039
4-[(4-methoxyphenyl)methoxy]butyl 4-nitrobenzoate
CID 15358066
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate
CID 60600774
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylbenzoate
CID 40745448
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
CID 24558009
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methoxymethyl 4-methylbenzoate?
The IUPAC name of (4-methoxyphenyl)methoxymethyl 4-methylbenzoate (CID 15498572) is (4-methoxyphenyl)methoxymethyl 4-methylbenzoate.
What is the SMILES notation for (4-methoxyphenyl)methoxymethyl 4-methylbenzoate?
The canonical SMILES for (4-methoxyphenyl)methoxymethyl 4-methylbenzoate is COc1ccc(COCOC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methoxymethyl 4-methylbenzoate?
The InChIKey is KAMCQJRPGTULGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-13-3-7-15(8-4-13)17(18)21-12-20-11-14-5-9-16(19-2)10-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)methoxymethyl 4-methylbenzoate?
(4-methoxyphenyl)methoxymethyl 4-methylbenzoate has a molecular weight of 286.33 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methoxymethyl 4-methylbenzoate is sourced from PubChem (CID 15498572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).