[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate

C24H24O3 — CID 21337971

IUPAC[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate
SMILESCOc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H24O3/c1-17-6-5-7-18(16-17)23(25)27-22-14-10-20(11-15-22)24(2,3)19-8-12-21(26-4)13-9-19/h5-16H,1-4H3
InChIKeyHFAGSRYTNHAMCT-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.55
Rot. Bonds5

About [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate

[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate (PubChem CID 21337971) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate
PubChem CID21337971
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate
SMILESCOc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H24O3/c1-17-6-5-7-18(16-17)23(25)27-22-14-10-20(11-15-22)24(2,3)19-8-12-21(26-4)13-9-19/h5-16H,1-4H3
InChIKeyHFAGSRYTNHAMCT-UHFFFAOYSA-N
XLogP5.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-[4-[2-(4-methoxyphenyl)ethynyl]phenyl] 3-O-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 59591578
1-O-methyl 3-O-[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 22898067
3-O-[4-[2-(4-methoxy-3-methylphenyl)ethynyl]-2-methylphenyl] 1-O-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 59591575
(4-acetylphenyl) 3-methylbenzoate
CID 795319
(4-methoxyphenyl) 3-(trifluoromethyl)benzoate
CID 532434
methyl acetate;[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzoate
CID 144741916
[4-[2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate;phenyl acetate;propan-2-one
CID 159781668
[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl] benzoate;propan-2-one
CID 162200473
1-O-methyl 2-O-phenyl 3-(4-methoxybenzoyl)oxy-6-(3-methylbenzoyl)oxybenzene-1,2-dicarboxylate
CID 144750310
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
3-O-[4-[2-[4-(4-acetylbenzoyl)oxyphenyl]butan-2-yl]phenyl] 1-O-[4-[2-(4-methoxyphenyl)butan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 59832617

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate?
The IUPAC name of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate (CID 21337971) is [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate?
The canonical SMILES for [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate is COc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate?
The InChIKey is HFAGSRYTNHAMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-17-6-5-7-18(16-17)23(25)27-22-14-10-20(11-15-22)24(2,3)19-8-12-21(26-4)13-9-19/h5-16H,1-4H3.
What are the key properties of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate?
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate has a molecular weight of 360.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate is sourced from PubChem (CID 21337971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).