propan-2-yl 4-methoxy-3-phenylmethoxybenzoate

C18H20O4 — CID 82186215

IUPACpropan-2-yl 4-methoxy-3-phenylmethoxybenzoate
SMILESCOc1ccc(C(=O)OC(C)C)cc1OCc1ccccc1
InChIInChI=1S/C18H20O4/c1-13(2)22-18(19)15-9-10-16(20-3)17(11-15)21-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3
InChIKeyBLOFWVMBHFVPDZ-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.84
Rot. Bonds6

About propan-2-yl 4-methoxy-3-phenylmethoxybenzoate

propan-2-yl 4-methoxy-3-phenylmethoxybenzoate (PubChem CID 82186215) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is propan-2-yl 4-methoxy-3-phenylmethoxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-methoxy-3-phenylmethoxybenzoate
PubChem CID82186215
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Namepropan-2-yl 4-methoxy-3-phenylmethoxybenzoate
SMILESCOc1ccc(C(=O)OC(C)C)cc1OCc1ccccc1
InChIInChI=1S/C18H20O4/c1-13(2)22-18(19)15-9-10-16(20-3)17(11-15)21-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3
InChIKeyBLOFWVMBHFVPDZ-UHFFFAOYSA-N
XLogP3.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247
(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 55441877
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196740
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196715
propan-2-yl 2-(4-aminobenzoyl)-5-methoxy-4-phenylmethoxybenzoate
CID 89441745
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
CID 19049285
[1-(benzylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 42969297
[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196707
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 55419475
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methoxy-3-phenylmethoxybenzoate?
The IUPAC name of propan-2-yl 4-methoxy-3-phenylmethoxybenzoate (CID 82186215) is propan-2-yl 4-methoxy-3-phenylmethoxybenzoate.
What is the SMILES notation for propan-2-yl 4-methoxy-3-phenylmethoxybenzoate?
The canonical SMILES for propan-2-yl 4-methoxy-3-phenylmethoxybenzoate is COc1ccc(C(=O)OC(C)C)cc1OCc1ccccc1.
What is the InChIKey of propan-2-yl 4-methoxy-3-phenylmethoxybenzoate?
The InChIKey is BLOFWVMBHFVPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-13(2)22-18(19)15-9-10-16(20-3)17(11-15)21-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3.
What are the key properties of propan-2-yl 4-methoxy-3-phenylmethoxybenzoate?
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate has a molecular weight of 300.35 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methoxy-3-phenylmethoxybenzoate is sourced from PubChem (CID 82186215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).