3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol

C24H24O4 — CID 144669752

IUPAC3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol
SMILESOC1(Oc2cccc(Oc3ccccc3)c2)CCCC(Oc2ccccc2)C1
InChIInChI=1S/C24H24O4/c25-24(16-8-15-23(18-24)27-20-11-5-2-6-12-20)28-22-14-7-13-21(17-22)26-19-9-3-1-4-10-19/h1-7,9-14,17,23,25H,8,15-16,18H2
InChIKeyQVNJUNYZXAVHRB-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.57
Rot. Bonds6

About 3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol

3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol (PubChem CID 144669752) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol
PubChem CID144669752
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol
SMILESOC1(Oc2cccc(Oc3ccccc3)c2)CCCC(Oc2ccccc2)C1
InChIInChI=1S/C24H24O4/c25-24(16-8-15-23(18-24)27-20-11-5-2-6-12-20)28-22-14-7-13-21(17-22)26-19-9-3-1-4-10-19/h1-7,9-14,17,23,25H,8,15-16,18H2
InChIKeyQVNJUNYZXAVHRB-UHFFFAOYSA-N
XLogP5.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
(1R,5S)-3-(3-phenoxyphenoxy)-9-azatricyclo[3.3.1.03,9]nonane
CID 163734591
[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645524
[1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol
CID 79640484
[1-(cyclopropylamino)-3-phenoxycyclopentyl]methanol
CID 79645287
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
1-amino-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79637262
1-amino-3-(3-tert-butylphenoxy)cyclohexane-1-carboxylic acid
CID 79635261
3-phenoxycyclohexan-1-ol
CID 79617811
N-cyclopentyl-3-phenoxyaniline
CID 55191413
4-(3-cyclopentyloxyphenoxy)benzamide;formic acid
CID 69120373
3-(3-phenoxyphenoxy)aniline
CID 68727404

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol?
The IUPAC name of 3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol (CID 144669752) is 3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol.
What is the SMILES notation for 3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol?
The canonical SMILES for 3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol is OC1(Oc2cccc(Oc3ccccc3)c2)CCCC(Oc2ccccc2)C1.
What is the InChIKey of 3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol?
The InChIKey is QVNJUNYZXAVHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c25-24(16-8-15-23(18-24)27-20-11-5-2-6-12-20)28-22-14-7-13-21(17-22)26-19-9-3-1-4-10-19/h1-7,9-14,17,23,25H,8,15-16,18H2.
What are the key properties of 3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol?
3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol has a molecular weight of 376.45 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-(3-phenoxyphenoxy)cyclohexan-1-ol is sourced from PubChem (CID 144669752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).