(3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one

C21H26O3 — CID 58242238

IUPAC(3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one
SMILESCCCCc1cccc(OCc2ccccc2)c1O[C@H](C)C(C)=O
InChIInChI=1S/C21H26O3/c1-4-5-12-19-13-9-14-20(21(19)24-17(3)16(2)22)23-15-18-10-7-6-8-11-18/h6-11,13-14,17H,4-5,12,15H2,1-3H3/t17-/m1/s1
InChIKeyGAWUIOBGLCVONZ-QGZVFWFLSA-N
MW326.44 g/mol
LogP4.96
Rot. Bonds9

About (3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one

(3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one (PubChem CID 58242238) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one.

Molecular Properties

Compound Name(3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one
PubChem CID58242238
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one
SMILESCCCCc1cccc(OCc2ccccc2)c1O[C@H](C)C(C)=O
InChIInChI=1S/C21H26O3/c1-4-5-12-19-13-9-14-20(21(19)24-17(3)16(2)22)23-15-18-10-7-6-8-11-18/h6-11,13-14,17H,4-5,12,15H2,1-3H3/t17-/m1/s1
InChIKeyGAWUIOBGLCVONZ-QGZVFWFLSA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 3-[6-[2,3-bis(phenylmethoxy)phenyl]hexoxy]-5-octadecoxybenzoate
CID 15233477
methyl 3-[6-[2,3-bis(phenylmethoxy)phenyl]hexoxy]-5-tetradecoxybenzoate
CID 15233470
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
1-butyl-2-[(3-methylphenyl)methoxy]benzene;(2S)-2-ethylpentanoic acid;propane
CID 170716908
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
2-(2-nonanoyl-3-phenylmethoxyphenyl)acetic acid
CID 141184822
2-[(2-pentylphenyl)methoxy]benzoic acid
CID 67780957
3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 117461801
2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide
CID 43366644

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one?
The IUPAC name of (3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one (CID 58242238) is (3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one.
What is the SMILES notation for (3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one?
The canonical SMILES for (3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one is CCCCc1cccc(OCc2ccccc2)c1O[C@H](C)C(C)=O.
What is the InChIKey of (3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one?
The InChIKey is GAWUIOBGLCVONZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26O3/c1-4-5-12-19-13-9-14-20(21(19)24-17(3)16(2)22)23-15-18-10-7-6-8-11-18/h6-11,13-14,17H,4-5,12,15H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one?
(3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one has a molecular weight of 326.44 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-butyl-6-phenylmethoxyphenoxy)butan-2-one is sourced from PubChem (CID 58242238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).