(4R)-4-(4-hydroxyphenyl)pentan-2-one

C11H14O2 — CID 157310522

IUPAC(4R)-4-(4-hydroxyphenyl)pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(O)cc1
InChIInChI=1S/C11H14O2/c1-8(7-9(2)12)10-3-5-11(13)6-4-10/h3-6,8,13H,7H2,1-2H3/t8-/m1/s1
InChIKeyANVGUYDJXVTNEM-MRVPVSSYSA-N
MW178.23 g/mol
LogP2.47
Rot. Bonds3

About (4R)-4-(4-hydroxyphenyl)pentan-2-one

(4R)-4-(4-hydroxyphenyl)pentan-2-one (PubChem CID 157310522) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (4R)-4-(4-hydroxyphenyl)pentan-2-one.

Molecular Properties

Compound Name(4R)-4-(4-hydroxyphenyl)pentan-2-one
PubChem CID157310522
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(4R)-4-(4-hydroxyphenyl)pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(O)cc1
InChIInChI=1S/C11H14O2/c1-8(7-9(2)12)10-3-5-11(13)6-4-10/h3-6,8,13H,7H2,1-2H3/t8-/m1/s1
InChIKeyANVGUYDJXVTNEM-MRVPVSSYSA-N
XLogP2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydroxyphenyl)pentan-2-one
CID 83907699
2-(4-hydroxyphenyl)heptan-4-one
CID 141316463
N-[2-(4-hydroxyphenyl)propyl]acetamide
CID 14579439
(4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one
CID 158144410
4-[4-(4-hydroxyphenyl)hex-4-en-2-yl]phenol
CID 158413505
4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol
CID 141094996
2-(4-hydroxyphenyl)propane-1-sulfonic acid
CID 115029578
benzene-1,4-diol;pentane-2,4-dione
CID 66906799
(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one
CID 146884141
4-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]pentan-2-one
CID 157497221
4-(4-hydroxyphenyl)-5-methyl-5-nitrohexan-2-one
CID 16720259
4-(4,6-dimethylheptan-2-yl)phenol
CID 6427088

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxyphenyl)pentan-2-one?
The IUPAC name of (4R)-4-(4-hydroxyphenyl)pentan-2-one (CID 157310522) is (4R)-4-(4-hydroxyphenyl)pentan-2-one.
What is the SMILES notation for (4R)-4-(4-hydroxyphenyl)pentan-2-one?
The canonical SMILES for (4R)-4-(4-hydroxyphenyl)pentan-2-one is CC(=O)C[C@@H](C)c1ccc(O)cc1.
What is the InChIKey of (4R)-4-(4-hydroxyphenyl)pentan-2-one?
The InChIKey is ANVGUYDJXVTNEM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8(7-9(2)12)10-3-5-11(13)6-4-10/h3-6,8,13H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-4-(4-hydroxyphenyl)pentan-2-one?
(4R)-4-(4-hydroxyphenyl)pentan-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxyphenyl)pentan-2-one is sourced from PubChem (CID 157310522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).