ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol

C14H24O3 — CID 142544309

IUPACethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol
SMILESCC.COc1ccccc1OC(CO)C(C)C
InChIInChI=1S/C12H18O3.C2H6/c1-9(2)12(8-13)15-11-7-5-4-6-10(11)14-3;1-2/h4-7,9,12-13H,8H2,1-3H3;1-2H3
InChIKeyQDGRZBKBZFYZOR-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.12
Rot. Bonds5

About ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol

ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol (PubChem CID 142544309) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol.

Molecular Properties

Compound Nameethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol
PubChem CID142544309
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol
SMILESCC.COc1ccccc1OC(CO)C(C)C
InChIInChI=1S/C12H18O3.C2H6/c1-9(2)12(8-13)15-11-7-5-4-6-10(11)14-3;1-2/h4-7,9,12-13H,8H2,1-3H3;1-2H3
InChIKeyQDGRZBKBZFYZOR-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-(4-hydroxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
CID 124630432
3-amino-2-(2-methoxyphenoxy)hexan-1-ol
CID 114357945
2-[4-[2-[4-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 132938044
(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]oxy-3-(2-methoxyphenyl)butanamide
CID 125420173
1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one
CID 102579597
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
2-(2-methoxyphenoxy)propanal
CID 123413169
3-amino-2-(2-propan-2-ylphenoxy)butan-1-ol
CID 64898304
1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene
CID 57481807
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol?
The IUPAC name of ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol (CID 142544309) is ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol.
What is the SMILES notation for ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol?
The canonical SMILES for ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol is CC.COc1ccccc1OC(CO)C(C)C.
What is the InChIKey of ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol?
The InChIKey is QDGRZBKBZFYZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3.C2H6/c1-9(2)12(8-13)15-11-7-5-4-6-10(11)14-3;1-2/h4-7,9,12-13H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol?
ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol has a molecular weight of 240.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol is sourced from PubChem (CID 142544309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).