6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol

C15H24O3 — CID 107704156

IUPAC6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C15H24O3/c1-2-15(17)13-7-9-14(10-8-13)18-12-6-4-3-5-11-16/h7-10,15-17H,2-6,11-12H2,1H3/t15-/m1/s1
InChIKeySEKAWOLHHHPPSK-OAHLLOKOSA-N
MW252.35 g/mol
LogP3.06
Rot. Bonds9

About 6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol

6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol (PubChem CID 107704156) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
PubChem CID107704156
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C15H24O3/c1-2-15(17)13-7-9-14(10-8-13)18-12-6-4-3-5-11-16/h7-10,15-17H,2-6,11-12H2,1H3/t15-/m1/s1
InChIKeySEKAWOLHHHPPSK-OAHLLOKOSA-N
XLogP3.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)propan-1-ol
CID 19979001
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532
5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
5-[4-[(1R)-1-hydroxypropyl]phenoxy]pentanenitrile
CID 78933493
6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
CID 107702416
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
1-[4-(2-methylsulfanylethoxy)phenyl]propan-1-ol
CID 115900486

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol (CID 107704156) is 6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol is CC[C@@H](O)c1ccc(OCCCCCCO)cc1.
What is the InChIKey of 6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol?
The InChIKey is SEKAWOLHHHPPSK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-15(17)13-7-9-14(10-8-13)18-12-6-4-3-5-11-16/h7-10,15-17H,2-6,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol?
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol is sourced from PubChem (CID 107704156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).