1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol

C14H22O3 — CID 82292256

IUPAC1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol
SMILESCOc1c(C(O)CO)cc(C)cc1C(C)(C)C
InChIInChI=1S/C14H22O3/c1-9-6-10(12(16)8-15)13(17-5)11(7-9)14(2,3)4/h6-7,12,15-16H,8H2,1-5H3
InChIKeyIDMAZLDDUMFSSM-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.33
Rot. Bonds3

About 1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol

1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol (PubChem CID 82292256) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol
PubChem CID82292256
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol
SMILESCOc1c(C(O)CO)cc(C)cc1C(C)(C)C
InChIInChI=1S/C14H22O3/c1-9-6-10(12(16)8-15)13(17-5)11(7-9)14(2,3)4/h6-7,12,15-16H,8H2,1-5H3
InChIKeyIDMAZLDDUMFSSM-UHFFFAOYSA-N
XLogP2.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512927
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol
CID 83943002
1-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-hydroxyethanone
CID 82291654
3-(3-tert-butyl-2-methoxy-5-methylphenyl)butanal
CID 117374437
5-(3-tert-butyl-2-methoxy-5-methylphenyl)pentane-2,3-diol
CID 83943010
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
CID 112513655
2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386585
2-bromo-1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethanone
CID 82490218
2-[2-(3-tert-butyl-2-methoxy-5-methylphenyl)butyl]-3-ethyloxirane
CID 83942992
1-tert-butyl-2-methoxy-5-methyl-3-[(Z)-non-6-en-4-yl]benzene
CID 83942988
(1S,3S)-3-amino-1-(2-methoxy-3,5-dimethylphenyl)butane-1,4-diol
CID 165351519

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol?
The IUPAC name of 1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol (CID 82292256) is 1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol?
The canonical SMILES for 1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol is COc1c(C(O)CO)cc(C)cc1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol?
The InChIKey is IDMAZLDDUMFSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-9-6-10(12(16)8-15)13(17-5)11(7-9)14(2,3)4/h6-7,12,15-16H,8H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol?
1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol has a molecular weight of 238.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol is sourced from PubChem (CID 82292256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).