1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one

C16H24O2 — CID 10824465

IUPAC1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one
SMILESCCCCC(=O)c1cc(C)ccc1[C@H](C)CCO
InChIInChI=1S/C16H24O2/c1-4-5-6-16(18)15-11-12(2)7-8-14(15)13(3)9-10-17/h7-8,11,13,17H,4-6,9-10H2,1-3H3/t13-/m1/s1
InChIKeyTYMZSVIYBDSYLK-CYBMUJFWSA-N
MW248.37 g/mol
LogP3.85
Rot. Bonds7

About 1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one

1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one (PubChem CID 10824465) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one.

Molecular Properties

Compound Name1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one
PubChem CID10824465
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one
SMILESCCCCC(=O)c1cc(C)ccc1[C@H](C)CCO
InChIInChI=1S/C16H24O2/c1-4-5-6-16(18)15-11-12(2)7-8-14(15)13(3)9-10-17/h7-8,11,13,17H,4-6,9-10H2,1-3H3/t13-/m1/s1
InChIKeyTYMZSVIYBDSYLK-CYBMUJFWSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263
1-(2-fluoro-4-methylphenyl)octan-1-one
CID 114966540
1-(2-fluoro-5-methylphenyl)decan-1-one
CID 114966456
5-(2-fluoro-4-methylphenyl)hexan-2-one
CID 83925693
1-(2-ethoxy-5-methylphenyl)nonan-1-one
CID 65447426
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115783255
1-(2-bromo-4-methylphenyl)heptan-1-one
CID 114966698
1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 4119461
1-(2-amino-5-methylphenyl)-4-methylpentan-1-one
CID 116581267

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one?
The IUPAC name of 1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one (CID 10824465) is 1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one.
What is the SMILES notation for 1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one?
The canonical SMILES for 1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one is CCCCC(=O)c1cc(C)ccc1[C@H](C)CCO.
What is the InChIKey of 1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one?
The InChIKey is TYMZSVIYBDSYLK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-5-6-16(18)15-11-12(2)7-8-14(15)13(3)9-10-17/h7-8,11,13,17H,4-6,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one?
1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-4-hydroxybutan-2-yl]-5-methylphenyl]pentan-1-one is sourced from PubChem (CID 10824465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).