methyl 4-[(1R)-1-phenylethoxy]benzoate

C16H16O3 — CID 163226081

IUPACmethyl 4-[(1R)-1-phenylethoxy]benzoate
SMILESCOC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-12(13-6-4-3-5-7-13)19-15-10-8-14(9-11-15)16(17)18-2/h3-12H,1-2H3/t12-/m1/s1
InChIKeyWNUVOHBEYFRVNC-GFCCVEGCSA-N
MW256.30 g/mol
LogP3.61
Rot. Bonds4

About methyl 4-[(1R)-1-phenylethoxy]benzoate

methyl 4-[(1R)-1-phenylethoxy]benzoate (PubChem CID 163226081) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 4-[(1R)-1-phenylethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1R)-1-phenylethoxy]benzoate
PubChem CID163226081
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 4-[(1R)-1-phenylethoxy]benzoate
SMILESCOC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-12(13-6-4-3-5-7-13)19-15-10-8-14(9-11-15)16(17)18-2/h3-12H,1-2H3/t12-/m1/s1
InChIKeyWNUVOHBEYFRVNC-GFCCVEGCSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
CID 19828168
methyl 3-methoxy-4-[(1S)-1-phenylethoxy]benzoate
CID 121407788
methyl 4-(1-pyridin-2-ylethoxy)benzoate
CID 68727423
methyl 4-[1-(1H-pyrrol-2-yl)ethoxy]benzoate
CID 117053572
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-(1-phenylethylamino)benzoate
CID 43217232
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
methyl 4-[cyclopropyl(phenyl)methyl]benzoate
CID 164671070
methyl 4-[1-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]benzoate
CID 89382606
methyl 4-[bis(phenylmethoxy)methoxy]benzoate
CID 142638924
(4-methoxycarbonylphenyl)-methyl-diphenylphosphanium
CID 19831324

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1R)-1-phenylethoxy]benzoate?
The IUPAC name of methyl 4-[(1R)-1-phenylethoxy]benzoate (CID 163226081) is methyl 4-[(1R)-1-phenylethoxy]benzoate.
What is the SMILES notation for methyl 4-[(1R)-1-phenylethoxy]benzoate?
The canonical SMILES for methyl 4-[(1R)-1-phenylethoxy]benzoate is COC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[(1R)-1-phenylethoxy]benzoate?
The InChIKey is WNUVOHBEYFRVNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16O3/c1-12(13-6-4-3-5-7-13)19-15-10-8-14(9-11-15)16(17)18-2/h3-12H,1-2H3/t12-/m1/s1.
What are the key properties of methyl 4-[(1R)-1-phenylethoxy]benzoate?
methyl 4-[(1R)-1-phenylethoxy]benzoate has a molecular weight of 256.30 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1R)-1-phenylethoxy]benzoate is sourced from PubChem (CID 163226081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).