6-(4-hydroxyphenyl)-6-methylheptan-2-one

C14H20O2 — CID 19865043

IUPAC6-(4-hydroxyphenyl)-6-methylheptan-2-one
SMILESCC(=O)CCCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H20O2/c1-11(15)5-4-10-14(2,3)12-6-8-13(16)9-7-12/h6-9,16H,4-5,10H2,1-3H3
InChIKeyYULDDGILLVKAGF-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.43
Rot. Bonds5

About 6-(4-hydroxyphenyl)-6-methylheptan-2-one

6-(4-hydroxyphenyl)-6-methylheptan-2-one (PubChem CID 19865043) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-6-methylheptan-2-one.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-6-methylheptan-2-one
PubChem CID19865043
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-(4-hydroxyphenyl)-6-methylheptan-2-one
SMILESCC(=O)CCCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H20O2/c1-11(15)5-4-10-14(2,3)12-6-8-13(16)9-7-12/h6-9,16H,4-5,10H2,1-3H3
InChIKeyYULDDGILLVKAGF-UHFFFAOYSA-N
XLogP3.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-6-[4-(trifluoromethyl)phenyl]heptan-2-one
CID 148726811
4-(2,7,7-trimethyloctan-2-yl)phenol
CID 141467055
prop-2-enyl 5-(4-hydroxyphenyl)-5-methylhexanoate
CID 19865075
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;6-methyl-6-phenylheptan-2-one
CID 161010051
undecyl 5-(4-hydroxyphenyl)-5-methylhexanoate
CID 70465048
5-(4-bromophenyl)-5-methylhexan-2-one
CID 153037785
acetaldehyde;4-(2-methylheptan-2-yl)phenol
CID 87674929
oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate
CID 19864992
[2-(4-hydroxyphenyl)-2-methylpropyl] acetate
CID 139774569
6-methyl-6-(5-methyl-1H-pyrrol-2-yl)heptan-2-one
CID 578832
4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol
CID 19864965
5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid
CID 70464957

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-6-methylheptan-2-one?
The IUPAC name of 6-(4-hydroxyphenyl)-6-methylheptan-2-one (CID 19865043) is 6-(4-hydroxyphenyl)-6-methylheptan-2-one.
What is the SMILES notation for 6-(4-hydroxyphenyl)-6-methylheptan-2-one?
The canonical SMILES for 6-(4-hydroxyphenyl)-6-methylheptan-2-one is CC(=O)CCCC(C)(C)c1ccc(O)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-6-methylheptan-2-one?
The InChIKey is YULDDGILLVKAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(15)5-4-10-14(2,3)12-6-8-13(16)9-7-12/h6-9,16H,4-5,10H2,1-3H3.
What are the key properties of 6-(4-hydroxyphenyl)-6-methylheptan-2-one?
6-(4-hydroxyphenyl)-6-methylheptan-2-one has a molecular weight of 220.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-6-methylheptan-2-one is sourced from PubChem (CID 19865043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).