1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one

C16H24O2 — CID 175493914

IUPAC1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one
SMILESCCCc1cccc(C(=O)C(C)(C)O)c1CCC
InChIInChI=1S/C16H24O2/c1-5-8-12-10-7-11-14(13(12)9-6-2)15(17)16(3,4)18/h7,10-11,18H,5-6,8-9H2,1-4H3
InChIKeyDFBCJZBPGJIORU-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.55
Rot. Bonds6

About 1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one

1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 175493914) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one
PubChem CID175493914
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one
SMILESCCCc1cccc(C(=O)C(C)(C)O)c1CCC
InChIInChI=1S/C16H24O2/c1-5-8-12-10-7-11-14(13(12)9-6-2)15(17)16(3,4)18/h7,10-11,18H,5-6,8-9H2,1-4H3
InChIKeyDFBCJZBPGJIORU-UHFFFAOYSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 159247184
N-benzoyl-2,3-dipropylbenzamide
CID 175499264
2-ethyl-N-methyl-3-propylbenzamide
CID 175322097
bis(2-methyl-3-propylphenyl)methanone
CID 172692899
azane;4-(2,3-dipropylphenyl)heptan-4-ol
CID 172695621
1-ethyl-3-pentyl-2-propylbenzene
CID 173025863
2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one
CID 19835265
2-methyl-3-propylbenzamide
CID 66693156
1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one
CID 70506977
[2-(hydroxymethyl)-3-propylphenyl]methanol
CID 118644202
2-propyl-1,3-di(tricosyl)benzene
CID 90723374

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one (CID 175493914) is 1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one is CCCc1cccc(C(=O)C(C)(C)O)c1CCC.
What is the InChIKey of 1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is DFBCJZBPGJIORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-8-12-10-7-11-14(13(12)9-6-2)15(17)16(3,4)18/h7,10-11,18H,5-6,8-9H2,1-4H3.
What are the key properties of 1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one?
1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 175493914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).