(6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate

C15H22O3 — CID 18942947

IUPAC(6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate
SMILESCC(=O)OC(CCCO)C(C)Cc1ccccc1
InChIInChI=1S/C15H22O3/c1-12(11-14-7-4-3-5-8-14)15(9-6-10-16)18-13(2)17/h3-5,7-8,12,15-16H,6,9-11H2,1-2H3
InChIKeyQDLXWCVGKOEILG-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.57
Rot. Bonds7

About (6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate

(6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate (PubChem CID 18942947) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate.

Molecular Properties

Compound Name(6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate
PubChem CID18942947
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate
SMILESCC(=O)OC(CCCO)C(C)Cc1ccccc1
InChIInChI=1S/C15H22O3/c1-12(11-14-7-4-3-5-8-14)15(9-6-10-16)18-13(2)17/h3-5,7-8,12,15-16H,6,9-11H2,1-2H3
InChIKeyQDLXWCVGKOEILG-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate 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

[6-(benzylamino)-2-methyl-1-phenylhexan-3-yl] acetate
CID 18942945
(3-amino-1-phenylbutan-2-yl) acetate
CID 66681091
6-hydroxy-3-(2-phenylethyl)hexan-2-one
CID 174363911
(9-hydroxy-1-phenylnonan-3-yl) acetate
CID 10850236
ethane;(3-oxo-1-phenylbutan-2-yl) acetate
CID 143592709
(1-acetyloxy-4-phenylbutyl) acetate
CID 15889700
propan-2-yl (2R)-2-benzyl-3-methylbutanoate
CID 89429198
propan-2-yl (2S)-2-benzyl-3-methylbutanoate
CID 132595294
[5-hydroxy-2-(2-phenylethyl)pentyl] acetate
CID 139794591
benzyl (3R)-6-hydroxy-3-methylhexanoate
CID 58080848
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate?
The IUPAC name of (6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate (CID 18942947) is (6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate.
What is the SMILES notation for (6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate?
The canonical SMILES for (6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate is CC(=O)OC(CCCO)C(C)Cc1ccccc1.
What is the InChIKey of (6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate?
The InChIKey is QDLXWCVGKOEILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-12(11-14-7-4-3-5-8-14)15(9-6-10-16)18-13(2)17/h3-5,7-8,12,15-16H,6,9-11H2,1-2H3.
What are the key properties of (6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate?
(6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate has a molecular weight of 250.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate is sourced from PubChem (CID 18942947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).