1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol

C20H26O5 — CID 14814213

IUPAC1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
SMILESCOc1ccc(COCCC(O)COCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26O5/c1-22-19-7-3-16(4-8-19)13-24-12-11-18(21)15-25-14-17-5-9-20(23-2)10-6-17/h3-10,18,21H,11-15H2,1-2H3
InChIKeyNOPZWOQQLSMHQO-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.19
Rot. Bonds11

About 1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol

1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol (PubChem CID 14814213) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol.

Molecular Properties

Compound Name1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
PubChem CID14814213
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
SMILESCOc1ccc(COCCC(O)COCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26O5/c1-22-19-7-3-16(4-8-19)13-24-12-11-18(21)15-25-14-17-5-9-20(23-2)10-6-17/h3-10,18,21H,11-15H2,1-2H3
InChIKeyNOPZWOQQLSMHQO-UHFFFAOYSA-N
XLogP3.19
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.19
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

(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(3R)-1-[(4-methoxyphenyl)methoxy]hex-5-yn-3-ol
CID 11042667
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
CID 20758158
1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
CID 10970441
(2S)-1-[(4-methoxyphenyl)methoxy]hept-6-yn-2-ol
CID 25195009
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
CID 10878674
(3S)-1-[(4-methoxyphenyl)methoxy]hexa-4,5-dien-3-ol
CID 11770384
1-(3-isocyanobutoxymethyl)-4-methoxybenzene
CID 86075538

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol?
The IUPAC name of 1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol (CID 14814213) is 1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol.
What is the SMILES notation for 1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol?
The canonical SMILES for 1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol is COc1ccc(COCCC(O)COCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol?
The InChIKey is NOPZWOQQLSMHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-22-19-7-3-16(4-8-19)13-24-12-11-18(21)15-25-14-17-5-9-20(23-2)10-6-17/h3-10,18,21H,11-15H2,1-2H3.
What are the key properties of 1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol?
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol has a molecular weight of 346.42 g/mol, XLogP of 3.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol is sourced from PubChem (CID 14814213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).