3-(3,5-dimethoxyphenoxy)butan-1-ol

C12H18O4 — CID 112508096

IUPAC3-(3,5-dimethoxyphenoxy)butan-1-ol
SMILESCOc1cc(OC)cc(OC(C)CCO)c1
InChIInChI=1S/C12H18O4/c1-9(4-5-13)16-12-7-10(14-2)6-11(8-12)15-3/h6-9,13H,4-5H2,1-3H3
InChIKeyUQQCZRSDYRJIPB-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.85
Rot. Bonds6

About 3-(3,5-dimethoxyphenoxy)butan-1-ol

3-(3,5-dimethoxyphenoxy)butan-1-ol (PubChem CID 112508096) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenoxy)butan-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenoxy)butan-1-ol
PubChem CID112508096
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3-(3,5-dimethoxyphenoxy)butan-1-ol
SMILESCOc1cc(OC)cc(OC(C)CCO)c1
InChIInChI=1S/C12H18O4/c1-9(4-5-13)16-12-7-10(14-2)6-11(8-12)15-3/h6-9,13H,4-5H2,1-3H3
InChIKeyUQQCZRSDYRJIPB-UHFFFAOYSA-N
XLogP1.85
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(4-methoxyphenoxy)hexan-1-ol
CID 11436040
3-methoxy-5-(4-methoxybutan-2-yloxy)benzenecarbothioamide
CID 103567342
3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
CID 107892959
3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol
CID 174205406
1-(4-methoxyphenoxy)propane-1,3-diol
CID 19593615
3-butan-2-yloxy-5-methoxybenzenecarbothioamide
CID 103567251
3-(2,4,6-trimethylphenoxy)butan-1-ol
CID 82077707
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1-(4-methoxy-2,6-dimethylphenyl)butane-1,2,4-triol
CID 171872645
5-(3,5-dimethoxyphenoxy)pentan-2-amine
CID 55137875

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenoxy)butan-1-ol?
The IUPAC name of 3-(3,5-dimethoxyphenoxy)butan-1-ol (CID 112508096) is 3-(3,5-dimethoxyphenoxy)butan-1-ol.
What is the SMILES notation for 3-(3,5-dimethoxyphenoxy)butan-1-ol?
The canonical SMILES for 3-(3,5-dimethoxyphenoxy)butan-1-ol is COc1cc(OC)cc(OC(C)CCO)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenoxy)butan-1-ol?
The InChIKey is UQQCZRSDYRJIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-9(4-5-13)16-12-7-10(14-2)6-11(8-12)15-3/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 3-(3,5-dimethoxyphenoxy)butan-1-ol?
3-(3,5-dimethoxyphenoxy)butan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenoxy)butan-1-ol is sourced from PubChem (CID 112508096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).