(5S)-5-(4-methoxyphenoxy)hexan-1-ol

C13H20O3 — CID 11436040

IUPAC(5S)-5-(4-methoxyphenoxy)hexan-1-ol
SMILESCOc1ccc(O[C@@H](C)CCCCO)cc1
InChIInChI=1S/C13H20O3/c1-11(5-3-4-10-14)16-13-8-6-12(15-2)7-9-13/h6-9,11,14H,3-5,10H2,1-2H3/t11-/m0/s1
InChIKeyOGBKXYQKPRVBLZ-NSHDSACASA-N
MW224.30 g/mol
LogP2.63
Rot. Bonds7

About (5S)-5-(4-methoxyphenoxy)hexan-1-ol

(5S)-5-(4-methoxyphenoxy)hexan-1-ol (PubChem CID 11436040) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (5S)-5-(4-methoxyphenoxy)hexan-1-ol.

Molecular Properties

Compound Name(5S)-5-(4-methoxyphenoxy)hexan-1-ol
PubChem CID11436040
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(5S)-5-(4-methoxyphenoxy)hexan-1-ol
SMILESCOc1ccc(O[C@@H](C)CCCCO)cc1
InChIInChI=1S/C13H20O3/c1-11(5-3-4-10-14)16-13-8-6-12(15-2)7-9-13/h6-9,11,14H,3-5,10H2,1-2H3/t11-/m0/s1
InChIKeyOGBKXYQKPRVBLZ-NSHDSACASA-N
XLogP2.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxyphenoxy)hexan-1-ol?
The IUPAC name of (5S)-5-(4-methoxyphenoxy)hexan-1-ol (CID 11436040) is (5S)-5-(4-methoxyphenoxy)hexan-1-ol.
What is the SMILES notation for (5S)-5-(4-methoxyphenoxy)hexan-1-ol?
The canonical SMILES for (5S)-5-(4-methoxyphenoxy)hexan-1-ol is COc1ccc(O[C@@H](C)CCCCO)cc1.
What is the InChIKey of (5S)-5-(4-methoxyphenoxy)hexan-1-ol?
The InChIKey is OGBKXYQKPRVBLZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20O3/c1-11(5-3-4-10-14)16-13-8-6-12(15-2)7-9-13/h6-9,11,14H,3-5,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (5S)-5-(4-methoxyphenoxy)hexan-1-ol?
(5S)-5-(4-methoxyphenoxy)hexan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-methoxyphenoxy)hexan-1-ol is sourced from PubChem (CID 11436040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).