1-(2-methoxy-4-propan-2-ylphenyl)ethanol

C12H18O2 — CID 83531211

IUPAC1-(2-methoxy-4-propan-2-ylphenyl)ethanol
SMILESCOc1cc(C(C)C)ccc1C(C)O
InChIInChI=1S/C12H18O2/c1-8(2)10-5-6-11(9(3)13)12(7-10)14-4/h5-9,13H,1-4H3
InChIKeyXCRFSMCTAVFLTP-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-methoxy-4-propan-2-ylphenyl)ethanol

1-(2-methoxy-4-propan-2-ylphenyl)ethanol (PubChem CID 83531211) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(2-methoxy-4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-4-propan-2-ylphenyl)ethanol
PubChem CID83531211
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(2-methoxy-4-propan-2-ylphenyl)ethanol
SMILESCOc1cc(C(C)C)ccc1C(C)O
InChIInChI=1S/C12H18O2/c1-8(2)10-5-6-11(9(3)13)12(7-10)14-4/h5-9,13H,1-4H3
InChIKeyXCRFSMCTAVFLTP-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
CID 82297509
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
(2-methoxy-4-propan-2-ylphenyl)-(methylamino)methanethiol
CID 116954517
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885
3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116911721
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256
1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 116932641
1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933264

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)ethanol (CID 83531211) is 1-(2-methoxy-4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(2-methoxy-4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(2-methoxy-4-propan-2-ylphenyl)ethanol is COc1cc(C(C)C)ccc1C(C)O.
What is the InChIKey of 1-(2-methoxy-4-propan-2-ylphenyl)ethanol?
The InChIKey is XCRFSMCTAVFLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)10-5-6-11(9(3)13)12(7-10)14-4/h5-9,13H,1-4H3.
What are the key properties of 1-(2-methoxy-4-propan-2-ylphenyl)ethanol?
1-(2-methoxy-4-propan-2-ylphenyl)ethanol has a molecular weight of 194.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 83531211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).