2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol

C18H22O3 — CID 79353304

IUPAC2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
SMILESCC(C)(O)CCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H22O3/c1-18(2,19)12-13-20-16-8-10-17(11-9-16)21-14-15-6-4-3-5-7-15/h3-11,19H,12-14H2,1-2H3
InChIKeyFXLVQZIIFSOSBT-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.81
Rot. Bonds7

About 2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol

2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol (PubChem CID 79353304) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
PubChem CID79353304
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
SMILESCC(C)(O)CCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H22O3/c1-18(2,19)12-13-20-16-8-10-17(11-9-16)21-14-15-6-4-3-5-7-15/h3-11,19H,12-14H2,1-2H3
InChIKeyFXLVQZIIFSOSBT-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
benzyl 4-[4-(3,3-dimethyl-4-oxo-4-phenylmethoxybutoxy)phenoxy]-2,2-dimethylbutanoate
CID 10164871
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
2-methyl-4-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 79361565
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
4-phenylmethoxybenzoic acid
CID 68896574
2-methyl-6-phenylmethoxyhexan-2-ol
CID 130681536
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol?
The IUPAC name of 2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol (CID 79353304) is 2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol?
The canonical SMILES for 2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol is CC(C)(O)CCOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol?
The InChIKey is FXLVQZIIFSOSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-18(2,19)12-13-20-16-8-10-17(11-9-16)21-14-15-6-4-3-5-7-15/h3-11,19H,12-14H2,1-2H3.
What are the key properties of 2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol?
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol has a molecular weight of 286.37 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol is sourced from PubChem (CID 79353304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).