butan-2-yl 3-methoxy-4-phenylmethoxybenzoate

C19H22O4 — CID 82186247

IUPACbutan-2-yl 3-methoxy-4-phenylmethoxybenzoate
SMILESCCC(C)OC(=O)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H22O4/c1-4-14(2)23-19(20)16-10-11-17(18(12-16)21-3)22-13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3
InChIKeyONBFNMGUEVCDSX-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.23
Rot. Bonds7

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

butan-2-yl 3-methoxy-4-phenylmethoxybenzoate (PubChem CID 82186247) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is butan-2-yl 3-methoxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namebutan-2-yl 3-methoxy-4-phenylmethoxybenzoate
PubChem CID82186247
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Namebutan-2-yl 3-methoxy-4-phenylmethoxybenzoate
SMILESCCC(C)OC(=O)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H22O4/c1-4-14(2)23-19(20)16-10-11-17(18(12-16)21-3)22-13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3
InChIKeyONBFNMGUEVCDSX-UHFFFAOYSA-N
XLogP4.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196715
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196707
[1-(benzylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 42969297
(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
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
butan-2-yl 2-phenylmethoxybenzoate
CID 82186245
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 55419475
butan-2-yl 3,4-diethoxybenzoate
CID 82186290
[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 55306280
prop-2-ynyl 3-methoxy-4-phenylmethoxybenzoate
CID 91681830

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 3-methoxy-4-phenylmethoxybenzoate?
The IUPAC name of butan-2-yl 3-methoxy-4-phenylmethoxybenzoate (CID 82186247) is butan-2-yl 3-methoxy-4-phenylmethoxybenzoate.
What is the SMILES notation for butan-2-yl 3-methoxy-4-phenylmethoxybenzoate?
The canonical SMILES for butan-2-yl 3-methoxy-4-phenylmethoxybenzoate is CCC(C)OC(=O)c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of butan-2-yl 3-methoxy-4-phenylmethoxybenzoate?
The InChIKey is ONBFNMGUEVCDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-14(2)23-19(20)16-10-11-17(18(12-16)21-3)22-13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3.
What are the key properties of butan-2-yl 3-methoxy-4-phenylmethoxybenzoate?
butan-2-yl 3-methoxy-4-phenylmethoxybenzoate has a molecular weight of 314.38 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 3-methoxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 82186247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).