(2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate

C20H24O3 — CID 134922138

IUPAC(2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1[C@@H](C)C(=O)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C20H24O3/c1-14(15-10-6-8-12-17(15)22-5)19(21)23-18-13-9-7-11-16(18)20(2,3)4/h6-14H,1-5H3/t14-/m1/s1
InChIKeyTWVLXPJACJEKFA-CQSZACIVSA-N
MW312.41 g/mol
LogP4.70
Rot. Bonds4

About (2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate

(2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate (PubChem CID 134922138) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate
PubChem CID134922138
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1[C@@H](C)C(=O)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C20H24O3/c1-14(15-10-6-8-12-17(15)22-5)19(21)23-18-13-9-7-11-16(18)20(2,3)4/h6-14H,1-5H3/t14-/m1/s1
InChIKeyTWVLXPJACJEKFA-CQSZACIVSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
(2-tert-butylphenyl) (2S)-2-(2-chlorophenyl)-3-methylbutanoate
CID 134916386
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
(2-tert-butyl-4-methoxyphenyl) 2-phenylpropanoate
CID 135368910
2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 31183674
benzhydryl (2S)-2-(2-methoxyphenyl)propanoate
CID 156776599
2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 114990548
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
(2-tert-butylphenyl) benzoate
CID 734595
ethane;(2-methoxyphenyl) 2-tert-butylbenzoate
CID 118040465

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate?
The IUPAC name of (2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate (CID 134922138) is (2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate.
What is the SMILES notation for (2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate?
The canonical SMILES for (2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate is COc1ccccc1[C@@H](C)C(=O)Oc1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate?
The InChIKey is TWVLXPJACJEKFA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24O3/c1-14(15-10-6-8-12-17(15)22-5)19(21)23-18-13-9-7-11-16(18)20(2,3)4/h6-14H,1-5H3/t14-/m1/s1.
What are the key properties of (2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate?
(2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate has a molecular weight of 312.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 134922138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).