4-[(3R,5S)-5-hexyloxolan-3-yl]phenol

C16H24O2 — CID 139607830

IUPAC4-[(3R,5S)-5-hexyloxolan-3-yl]phenol
SMILESCCCCCC[C@H]1C[C@H](c2ccc(O)cc2)CO1
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-16-11-14(12-18-16)13-7-9-15(17)10-8-13/h7-10,14,16-17H,2-6,11-12H2,1H3/t14-,16-/m0/s1
InChIKeyANTHXPPVUFANRG-HOCLYGCPSA-N
MW248.37 g/mol
LogP4.24
Rot. Bonds6

About 4-[(3R,5S)-5-hexyloxolan-3-yl]phenol

4-[(3R,5S)-5-hexyloxolan-3-yl]phenol (PubChem CID 139607830) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(3R,5S)-5-hexyloxolan-3-yl]phenol.

Molecular Properties

Compound Name4-[(3R,5S)-5-hexyloxolan-3-yl]phenol
PubChem CID139607830
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-[(3R,5S)-5-hexyloxolan-3-yl]phenol
SMILESCCCCCC[C@H]1C[C@H](c2ccc(O)cc2)CO1
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-16-11-14(12-18-16)13-7-9-15(17)10-8-13/h7-10,14,16-17H,2-6,11-12H2,1H3/t14-,16-/m0/s1
InChIKeyANTHXPPVUFANRG-HOCLYGCPSA-N
XLogP4.24
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 ≤ 54.24
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

5-(4-methylphenyl)-2-pentyloxane
CID 21248084
2-heptyl-5-(4-octylphenyl)oxane
CID 21247893
2-heptyl-5-(4-heptylphenyl)oxane
CID 21247540
5-(4-ethylphenyl)-2-pentyloxane
CID 21247840
2-octyl-5-(4-phenylphenyl)oxane
CID 21247738
5-(4-ethoxyphenyl)-2-hexyloxane
CID 21247855
5-[4-(4-chlorophenyl)phenyl]-2-octyloxane
CID 21248010
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
2-hexyl-5-[4-(4-pentylcyclohexyl)phenyl]-1,4-dioxane
CID 56990135
2-pentyloxetane;phenol
CID 67793049
tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane
CID 101215706

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,5S)-5-hexyloxolan-3-yl]phenol?
The IUPAC name of 4-[(3R,5S)-5-hexyloxolan-3-yl]phenol (CID 139607830) is 4-[(3R,5S)-5-hexyloxolan-3-yl]phenol.
What is the SMILES notation for 4-[(3R,5S)-5-hexyloxolan-3-yl]phenol?
The canonical SMILES for 4-[(3R,5S)-5-hexyloxolan-3-yl]phenol is CCCCCC[C@H]1C[C@H](c2ccc(O)cc2)CO1.
What is the InChIKey of 4-[(3R,5S)-5-hexyloxolan-3-yl]phenol?
The InChIKey is ANTHXPPVUFANRG-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-5-6-16-11-14(12-18-16)13-7-9-15(17)10-8-13/h7-10,14,16-17H,2-6,11-12H2,1H3/t14-,16-/m0/s1.
What are the key properties of 4-[(3R,5S)-5-hexyloxolan-3-yl]phenol?
4-[(3R,5S)-5-hexyloxolan-3-yl]phenol has a molecular weight of 248.37 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,5S)-5-hexyloxolan-3-yl]phenol is sourced from PubChem (CID 139607830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).