3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol

C13H20O4 — CID 114228799

IUPAC3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
SMILESCOc1cccc(OCC(O)C(C)(C)OC)c1
InChIInChI=1S/C13H20O4/c1-13(2,16-4)12(14)9-17-11-7-5-6-10(8-11)15-3/h5-8,12,14H,9H2,1-4H3
InChIKeyHWUJFSKYCZDDMQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.86
Rot. Bonds6

About 3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol

3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol (PubChem CID 114228799) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
PubChem CID114228799
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
SMILESCOc1cccc(OCC(O)C(C)(C)OC)c1
InChIInChI=1S/C13H20O4/c1-13(2,16-4)12(14)9-17-11-7-5-6-10(8-11)15-3/h5-8,12,14H,9H2,1-4H3
InChIKeyHWUJFSKYCZDDMQ-UHFFFAOYSA-N
XLogP1.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228810
1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228818
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
3-hydroxy-4-(3-methoxyphenoxy)butanenitrile
CID 13010437
3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol
CID 117244947
1-(2-iodoanilino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60901769
(3-methoxyphenoxy)methanol
CID 10442564
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol?
The IUPAC name of 3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol (CID 114228799) is 3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol.
What is the SMILES notation for 3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol?
The canonical SMILES for 3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol is COc1cccc(OCC(O)C(C)(C)OC)c1.
What is the InChIKey of 3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol?
The InChIKey is HWUJFSKYCZDDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-13(2,16-4)12(14)9-17-11-7-5-6-10(8-11)15-3/h5-8,12,14H,9H2,1-4H3.
What are the key properties of 3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol?
3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol is sourced from PubChem (CID 114228799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).