3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol

C22H36O2 — CID 71121349

IUPAC3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol
SMILESCCCCCCCCCc1ccc(OCC2CCCC(O)C2)cc1
InChIInChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-10-19-13-15-22(16-14-19)24-18-20-11-9-12-21(23)17-20/h13-16,20-21,23H,2-12,17-18H2,1H3
InChIKeyZUOMIFWHXTVLHB-UHFFFAOYSA-N
MW332.53 g/mol
LogP5.91
Rot. Bonds11

About 3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol

3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol (PubChem CID 71121349) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is 3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol
PubChem CID71121349
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol
SMILESCCCCCCCCCc1ccc(OCC2CCCC(O)C2)cc1
InChIInChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-10-19-13-15-22(16-14-19)24-18-20-11-9-12-21(23)17-20/h13-16,20-21,23H,2-12,17-18H2,1H3
InChIKeyZUOMIFWHXTVLHB-UHFFFAOYSA-N
XLogP5.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
3-[[4-(4-pentylphenyl)phenoxy]methyl]-7-oxabicyclo[4.1.0]heptane
CID 58220313
2-[4-[(4-decylphenoxy)methyl]cyclohexyl]-5-heptylpyrimidine
CID 21288626
5-decyl-2-[4-[(4-pentylphenoxy)methyl]cyclohexyl]pyrimidine
CID 21288797
5-dodecyl-2-[4-[(4-hexylphenoxy)methyl]cyclohexyl]pyrimidine
CID 70402731
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854
1-pentyl-4-[2-[4-[(4-propylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933635
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
1-hexoxy-4-pentylbenzene
CID 54277450

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol (CID 71121349) is 3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol is CCCCCCCCCc1ccc(OCC2CCCC(O)C2)cc1.
What is the InChIKey of 3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol?
The InChIKey is ZUOMIFWHXTVLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-10-19-13-15-22(16-14-19)24-18-20-11-9-12-21(23)17-20/h13-16,20-21,23H,2-12,17-18H2,1H3.
What are the key properties of 3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol?
3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol has a molecular weight of 332.53 g/mol, XLogP of 5.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nonylphenoxy)methyl]cyclohexan-1-ol is sourced from PubChem (CID 71121349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).