1-(2-hydroxyphenyl)-2-methylheptan-4-one

C14H20O2 — CID 83930510

IUPAC1-(2-hydroxyphenyl)-2-methylheptan-4-one
SMILESCCCC(=O)CC(C)Cc1ccccc1O
InChIInChI=1S/C14H20O2/c1-3-6-13(15)10-11(2)9-12-7-4-5-8-14(12)16/h4-5,7-8,11,16H,3,6,9-10H2,1-2H3
InChIKeySXTRKAPRPCVARH-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.33
Rot. Bonds6

About 1-(2-hydroxyphenyl)-2-methylheptan-4-one

1-(2-hydroxyphenyl)-2-methylheptan-4-one (PubChem CID 83930510) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-2-methylheptan-4-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-2-methylheptan-4-one
PubChem CID83930510
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(2-hydroxyphenyl)-2-methylheptan-4-one
SMILESCCCC(=O)CC(C)Cc1ccccc1O
InChIInChI=1S/C14H20O2/c1-3-6-13(15)10-11(2)9-12-7-4-5-8-14(12)16/h4-5,7-8,11,16H,3,6,9-10H2,1-2H3
InChIKeySXTRKAPRPCVARH-UHFFFAOYSA-N
XLogP3.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-2-methylheptan-4-one
CID 83924687
2-(2-methylhexyl)phenol
CID 70468814
1-(5-bromothiophen-2-yl)-2-methylheptan-4-one
CID 83934989
1-(2-fluoro-4-methylphenyl)-2-methylheptan-4-one
CID 83925746
1-(5-bromo-2-fluorophenyl)-2-methylheptan-4-one
CID 83933876
2-(2-methyltetradecyl)phenol
CID 154276736
1-(5-bromo-2-methoxyphenyl)-2-methylheptan-4-one
CID 83933770
2-(2-methylpropyl)phenol;propane
CID 158609255
1-(2-ethoxy-5-ethylphenyl)-2-methylheptan-4-one
CID 83942574
2-methyl-1-(3-methylthiophen-2-yl)heptan-4-one
CID 83929151
5-methyl-1-(2-methylphenyl)octan-3-one
CID 105091409
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-2-methylheptan-4-one?
The IUPAC name of 1-(2-hydroxyphenyl)-2-methylheptan-4-one (CID 83930510) is 1-(2-hydroxyphenyl)-2-methylheptan-4-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-2-methylheptan-4-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-2-methylheptan-4-one is CCCC(=O)CC(C)Cc1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-2-methylheptan-4-one?
The InChIKey is SXTRKAPRPCVARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-6-13(15)10-11(2)9-12-7-4-5-8-14(12)16/h4-5,7-8,11,16H,3,6,9-10H2,1-2H3.
What are the key properties of 1-(2-hydroxyphenyl)-2-methylheptan-4-one?
1-(2-hydroxyphenyl)-2-methylheptan-4-one has a molecular weight of 220.31 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-2-methylheptan-4-one is sourced from PubChem (CID 83930510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).