bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone

C21H26O3 — CID 131860857

IUPACbis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
SMILESCC[C@@H](C)Oc1ccc(C(=O)c2ccc(O[C@H](C)CC)cc2)cc1
InChIInChI=1S/C21H26O3/c1-5-15(3)23-19-11-7-17(8-12-19)21(22)18-9-13-20(14-10-18)24-16(4)6-2/h7-16H,5-6H2,1-4H3/t15-,16-/m1/s1
InChIKeyOQQVGJZHYLSMMW-HZPDHXFCSA-N
MW326.44 g/mol
LogP5.27
Rot. Bonds8

About bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone

bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone (PubChem CID 131860857) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Namebis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
PubChem CID131860857
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Namebis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
SMILESCC[C@@H](C)Oc1ccc(C(=O)c2ccc(O[C@H](C)CC)cc2)cc1
InChIInChI=1S/C21H26O3/c1-5-15(3)23-19-11-7-17(8-12-19)21(22)18-9-13-20(14-10-18)24-16(4)6-2/h7-16H,5-6H2,1-4H3/t15-,16-/m1/s1
InChIKeyOQQVGJZHYLSMMW-HZPDHXFCSA-N
XLogP5.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yloxybenzoic acid
CID 5132695
3-(4-butan-2-yloxyphenyl)but-2-enoic acid
CID 151273167
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
4-[(2R)-butan-2-yl]oxy-N'-hydroxybenzenecarboximidamide
CID 156537629
4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654055
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
ethyl 4-(4-butan-2-yloxyphenyl)-3-methyl-2,4-dioxobutanoate
CID 54803727
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
4-butan-2-yloxyaniline
CID 13097722
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451

Frequently Asked Questions

What is the IUPAC name of bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone?
The IUPAC name of bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone (CID 131860857) is bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone.
What is the SMILES notation for bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone?
The canonical SMILES for bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone is CC[C@@H](C)Oc1ccc(C(=O)c2ccc(O[C@H](C)CC)cc2)cc1.
What is the InChIKey of bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone?
The InChIKey is OQQVGJZHYLSMMW-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H26O3/c1-5-15(3)23-19-11-7-17(8-12-19)21(22)18-9-13-20(14-10-18)24-16(4)6-2/h7-16H,5-6H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone?
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone has a molecular weight of 326.44 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 131860857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).