5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one

C15H22O4 — CID 169026151

IUPAC5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one
SMILESCC(C)(CCCO)C(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C15H22O4/c1-15(2,8-3-9-16)14(18)12-4-6-13(7-5-12)19-11-10-17/h4-7,16-17H,3,8-11H2,1-2H3
InChIKeyGZCBOCPFUCKDCV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds8

About 5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one

5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one (PubChem CID 169026151) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one
PubChem CID169026151
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one
SMILESCC(C)(CCCO)C(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C15H22O4/c1-15(2,8-3-9-16)14(18)12-4-6-13(7-5-12)19-11-10-17/h4-7,16-17H,3,8-11H2,1-2H3
InChIKeyGZCBOCPFUCKDCV-UHFFFAOYSA-N
XLogP2.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxybutoxy)benzoic acid
CID 15218596
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 90092001
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
5-[4-[4-(4-carboxy-4-methylpentoxy)phenyl]phenoxy]-2,2-dimethylpentanoic acid
CID 13050541
5-[4-(2-hydroxyethoxy)phenoxy]-2-(hydroxymethyl)-2-methylpentanoic acid
CID 59696091
2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate
CID 126733121
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
4-[2-[4-(2-hydroxyethoxy)phenoxy]ethoxycarbonyl]benzoic acid
CID 57119637
2,2-dimethyl-1-(4-pentadecoxyphenyl)propan-1-one
CID 59409741
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one?
The IUPAC name of 5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one (CID 169026151) is 5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one.
What is the SMILES notation for 5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one?
The canonical SMILES for 5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one is CC(C)(CCCO)C(=O)c1ccc(OCCO)cc1.
What is the InChIKey of 5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one?
The InChIKey is GZCBOCPFUCKDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2,8-3-9-16)14(18)12-4-6-13(7-5-12)19-11-10-17/h4-7,16-17H,3,8-11H2,1-2H3.
What are the key properties of 5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one?
5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one has a molecular weight of 266.34 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one is sourced from PubChem (CID 169026151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).