(2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one

C12H16O2 — CID 86330548

IUPAC(2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)[C@@H](C)c1ccc(O)cc1
InChIInChI=1S/C12H16O2/c1-8(2)12(14)9(3)10-4-6-11(13)7-5-10/h4-9,13H,1-3H3/t9-/m0/s1
InChIKeyOIKRFBAPTDCZDO-VIFPVBQESA-N
MW192.26 g/mol
LogP2.72
Rot. Bonds3

About (2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one

(2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one (PubChem CID 86330548) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one.

Molecular Properties

Compound Name(2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one
PubChem CID86330548
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)[C@@H](C)c1ccc(O)cc1
InChIInChI=1S/C12H16O2/c1-8(2)12(14)9(3)10-4-6-11(13)7-5-10/h4-9,13H,1-3H3/t9-/m0/s1
InChIKeyOIKRFBAPTDCZDO-VIFPVBQESA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-4-methylpentan-3-one
CID 130817118
phosphanyl 2-(4-hydroxyphenyl)propanoate
CID 121404304
2-methyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-one
CID 79298920
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide
CID 66691200
4-[4-(4-carboxyphenyl)-3-oxopentan-2-yl]benzoic acid
CID 67705641
(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
CID 162087543
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
methane;4-propan-2-ylphenol
CID 159328733
(2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate
CID 21326469
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348
4-[(1R)-1-fluoroethyl]phenol
CID 124547590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one?
The IUPAC name of (2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one (CID 86330548) is (2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one.
What is the SMILES notation for (2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one?
The canonical SMILES for (2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one is CC(C)C(=O)[C@@H](C)c1ccc(O)cc1.
What is the InChIKey of (2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one?
The InChIKey is OIKRFBAPTDCZDO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16O2/c1-8(2)12(14)9(3)10-4-6-11(13)7-5-10/h4-9,13H,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one?
(2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one has a molecular weight of 192.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one is sourced from PubChem (CID 86330548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).