1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol

C21H28O5 — CID 10970441

IUPAC1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
SMILESCOc1ccc(COCCCCC(O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28O5/c1-23-19-8-6-17(7-9-19)15-25-14-4-3-5-18(22)16-26-21-12-10-20(24-2)11-13-21/h6-13,18,22H,3-5,14-16H2,1-2H3
InChIKeyPLKYKRPQMOHEKV-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.83
Rot. Bonds12

About 1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol

1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol (PubChem CID 10970441) has the molecular formula C21H28O5 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
PubChem CID10970441
Molecular FormulaC21H28O5
Molecular Weight360.45 g/mol
Exact Mass360.19
IUPAC Name1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
SMILESCOc1ccc(COCCCCC(O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28O5/c1-23-19-8-6-17(7-9-19)15-25-14-4-3-5-18(22)16-26-21-12-10-20(24-2)11-13-21/h6-13,18,22H,3-5,14-16H2,1-2H3
InChIKeyPLKYKRPQMOHEKV-UHFFFAOYSA-N
XLogP3.83
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(2S)-1-[(4-methoxyphenyl)methoxy]hept-6-yn-2-ol
CID 25195009
5-[(4-methoxyphenyl)methoxy]-2-[3-[(4-methoxyphenyl)methoxy]propyl]pentan-1-ol
CID 11025823
2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol
CID 24742721
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene
CID 11279700

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol (CID 10970441) is 1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol is COc1ccc(COCCCCC(O)COc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol?
The InChIKey is PLKYKRPQMOHEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O5/c1-23-19-8-6-17(7-9-19)15-25-14-4-3-5-18(22)16-26-21-12-10-20(24-2)11-13-21/h6-13,18,22H,3-5,14-16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol?
1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol has a molecular weight of 360.45 g/mol, XLogP of 3.83, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol is sourced from PubChem (CID 10970441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).