7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one

C15H22O2 — CID 162419681

IUPAC7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one
SMILESCC(=O)CCC(C)(C)CC(O)c1ccccc1
InChIInChI=1S/C15H22O2/c1-12(16)9-10-15(2,3)11-14(17)13-7-5-4-6-8-13/h4-8,14,17H,9-11H2,1-3H3
InChIKeyXZAMPIGZXHVJDB-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.51
Rot. Bonds6

About 7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one

7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one (PubChem CID 162419681) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one.

Molecular Properties

Compound Name7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one
PubChem CID162419681
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one
SMILESCC(=O)CCC(C)(C)CC(O)c1ccccc1
InChIInChI=1S/C15H22O2/c1-12(16)9-10-15(2,3)11-14(17)13-7-5-4-6-8-13/h4-8,14,17H,9-11H2,1-3H3
InChIKeyXZAMPIGZXHVJDB-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-hydroxy-2,2-dimethyl-4-phenylbutanoic acid
CID 95562171
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
3-methyl-1-phenylpentane-1,3-diol
CID 173455419
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 54591246
(1R)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 92981235
5-(dimethylamino)-5-phenylhexan-2-one
CID 140945265
3-isocyano-3-[isocyano(phenyl)methyl]heptane-2,6-dione
CID 59887435
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
CID 65292247
5-bromo-5-phenylpentan-2-one
CID 70081529
S-(2-hydroxy-2-phenylethyl) ethanethioate
CID 54671680
2-(2-hydroxy-2-phenylethyl)sulfanyl-2-methylpropanoic acid
CID 81230756

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one?
The IUPAC name of 7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one (CID 162419681) is 7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one.
What is the SMILES notation for 7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one?
The canonical SMILES for 7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one is CC(=O)CCC(C)(C)CC(O)c1ccccc1.
What is the InChIKey of 7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one?
The InChIKey is XZAMPIGZXHVJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(16)9-10-15(2,3)11-14(17)13-7-5-4-6-8-13/h4-8,14,17H,9-11H2,1-3H3.
What are the key properties of 7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one?
7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one is sourced from PubChem (CID 162419681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).