4-(4-hydroxyphenoxy)cyclohexan-1-one

C12H14O3 — CID 18359489

IUPAC4-(4-hydroxyphenoxy)cyclohexan-1-one
SMILESO=C1CCC(Oc2ccc(O)cc2)CC1
InChIInChI=1S/C12H14O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-2,5-6,12-13H,3-4,7-8H2
InChIKeyYKYWRYFIRVHGHZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.28
Rot. Bonds2

About 4-(4-hydroxyphenoxy)cyclohexan-1-one

4-(4-hydroxyphenoxy)cyclohexan-1-one (PubChem CID 18359489) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(4-hydroxyphenoxy)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-hydroxyphenoxy)cyclohexan-1-one
PubChem CID18359489
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-(4-hydroxyphenoxy)cyclohexan-1-one
SMILESO=C1CCC(Oc2ccc(O)cc2)CC1
InChIInChI=1S/C12H14O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-2,5-6,12-13H,3-4,7-8H2
InChIKeyYKYWRYFIRVHGHZ-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenoxy)cyclohexan-1-one
CID 22467175
4-(4-chlorophenoxy)cyclohexan-1-one
CID 58923771
4-(4-oxocyclohexyl)oxybenzamide
CID 18445301
4-cycloheptyloxyphenol
CID 67178425
4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one
CID 117051630
4-(3-oxocyclopentyl)oxybenzamide
CID 79644045
2-(4-hydroxyphenoxy)cyclohexan-1-one
CID 145148348
4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
CID 114518723
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
4-cyclopropyloxybenzaldehyde
CID 71423039
1-bromo-4-cyclopropyloxybenzene
CID 50998694
4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol
CID 177260768

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenoxy)cyclohexan-1-one?
The IUPAC name of 4-(4-hydroxyphenoxy)cyclohexan-1-one (CID 18359489) is 4-(4-hydroxyphenoxy)cyclohexan-1-one.
What is the SMILES notation for 4-(4-hydroxyphenoxy)cyclohexan-1-one?
The canonical SMILES for 4-(4-hydroxyphenoxy)cyclohexan-1-one is O=C1CCC(Oc2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxyphenoxy)cyclohexan-1-one?
The InChIKey is YKYWRYFIRVHGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-2,5-6,12-13H,3-4,7-8H2.
What are the key properties of 4-(4-hydroxyphenoxy)cyclohexan-1-one?
4-(4-hydroxyphenoxy)cyclohexan-1-one has a molecular weight of 206.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenoxy)cyclohexan-1-one is sourced from PubChem (CID 18359489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).