3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol

C16H24O2 — CID 86023496

IUPAC3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol
SMILESOCCCOc1cccc(CC2CCCCC2)c1
InChIInChI=1S/C16H24O2/c17-10-5-11-18-16-9-4-8-15(13-16)12-14-6-2-1-3-7-14/h4,8-9,13-14,17H,1-3,5-7,10-12H2
InChIKeyKGAUZLDJOBUQTF-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.57
Rot. Bonds6

About 3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol

3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol (PubChem CID 86023496) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol
PubChem CID86023496
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol
SMILESOCCCOc1cccc(CC2CCCCC2)c1
InChIInChI=1S/C16H24O2/c17-10-5-11-18-16-9-4-8-15(13-16)12-14-6-2-1-3-7-14/h4,8-9,13-14,17H,1-3,5-7,10-12H2
InChIKeyKGAUZLDJOBUQTF-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.57
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

3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
CID 43253956
1-(3-cyclohexylpropyl)-3-ethoxybenzene
CID 91039884
1-(7-cyclopentylheptoxy)-3-nonylbenzene
CID 173313656
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
3-(3-cyclohexylpropyl)benzoic acid;1-(3-cyclohexylpropyl)-3-propoxybenzene
CID 91254679
2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol
CID 60696695
[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid
CID 62383023
[3-[2-(cycloheptylmethoxy)ethoxy]phenyl]boronic acid
CID 114248720
3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol?
The IUPAC name of 3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol (CID 86023496) is 3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol?
The canonical SMILES for 3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol is OCCCOc1cccc(CC2CCCCC2)c1.
What is the InChIKey of 3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol?
The InChIKey is KGAUZLDJOBUQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c17-10-5-11-18-16-9-4-8-15(13-16)12-14-6-2-1-3-7-14/h4,8-9,13-14,17H,1-3,5-7,10-12H2.
What are the key properties of 3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol?
3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylmethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 86023496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).