(2-methoxy-1-phenylethyl) 3-chlorobenzoate

C16H15ClO3 — CID 90150998

IUPAC(2-methoxy-1-phenylethyl) 3-chlorobenzoate
SMILESCOCC(OC(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClO3/c1-19-11-15(12-6-3-2-4-7-12)20-16(18)13-8-5-9-14(17)10-13/h2-10,15H,11H2,1H3
InChIKeyQAKHSIDJLFXFIA-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.88
Rot. Bonds5

About (2-methoxy-1-phenylethyl) 3-chlorobenzoate

(2-methoxy-1-phenylethyl) 3-chlorobenzoate (PubChem CID 90150998) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is (2-methoxy-1-phenylethyl) 3-chlorobenzoate.

Molecular Properties

Compound Name(2-methoxy-1-phenylethyl) 3-chlorobenzoate
PubChem CID90150998
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name(2-methoxy-1-phenylethyl) 3-chlorobenzoate
SMILESCOCC(OC(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClO3/c1-19-11-15(12-6-3-2-4-7-12)20-16(18)13-8-5-9-14(17)10-13/h2-10,15H,11H2,1H3
InChIKeyQAKHSIDJLFXFIA-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxy-3-methylbutan-2-yl) 3-chlorobenzoate
CID 71145551
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
(3-methyl-1-phenoxybutan-2-yl) 3-chlorobenzoate
CID 71144925
(3,3-dimethyl-1-phenylmethoxybutan-2-yl) 3-chlorobenzoate
CID 71145705
4-methylpentan-2-yl 3-chlorobenzoate
CID 91716229
1-ethoxypropan-2-yl 3-chlorobenzoate
CID 71145006
1-(2-methylpropoxy)propan-2-yl 3-chlorobenzoate
CID 71145410
[(2S)-2-[dimethyl(phenyl)silyl]-1-phenylpropyl] 3-chlorobenzoate
CID 102588067
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
[(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate
CID 132540788
methyl 3-chlorobenzenecarboperoxoate
CID 118256511
[(2S,3S)-4-methoxy-3-methyl-4-oxobutan-2-yl] 3-chlorobenzoate
CID 97239053

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-1-phenylethyl) 3-chlorobenzoate?
The IUPAC name of (2-methoxy-1-phenylethyl) 3-chlorobenzoate (CID 90150998) is (2-methoxy-1-phenylethyl) 3-chlorobenzoate.
What is the SMILES notation for (2-methoxy-1-phenylethyl) 3-chlorobenzoate?
The canonical SMILES for (2-methoxy-1-phenylethyl) 3-chlorobenzoate is COCC(OC(=O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of (2-methoxy-1-phenylethyl) 3-chlorobenzoate?
The InChIKey is QAKHSIDJLFXFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-11-15(12-6-3-2-4-7-12)20-16(18)13-8-5-9-14(17)10-13/h2-10,15H,11H2,1H3.
What are the key properties of (2-methoxy-1-phenylethyl) 3-chlorobenzoate?
(2-methoxy-1-phenylethyl) 3-chlorobenzoate has a molecular weight of 290.75 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1-phenylethyl) 3-chlorobenzoate is sourced from PubChem (CID 90150998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).