(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol

C12H18O2 — CID 97294345

IUPAC(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol
SMILESCCOc1c(C)cc([C@H](C)O)cc1C
InChIInChI=1S/C12H18O2/c1-5-14-12-8(2)6-11(10(4)13)7-9(12)3/h6-7,10,13H,5H2,1-4H3/t10-/m0/s1
InChIKeyHRLUWVGTZFSBCD-JTQLQIEISA-N
MW194.27 g/mol
LogP2.76
Rot. Bonds3

About (1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol

(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol (PubChem CID 97294345) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol
PubChem CID97294345
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol
SMILESCCOc1c(C)cc([C@H](C)O)cc1C
InChIInChI=1S/C12H18O2/c1-5-14-12-8(2)6-11(10(4)13)7-9(12)3/h6-7,10,13H,5H2,1-4H3/t10-/m0/s1
InChIKeyHRLUWVGTZFSBCD-JTQLQIEISA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethyl-4-propoxyphenyl)ethanol
CID 91657661
1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol
CID 82265791
1-(3-ethoxy-5-methylphenyl)ethanol
CID 171367862
2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
CID 115823357
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
2-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 91657255
1-(4-diazenyl-3,5-diethoxyphenyl)ethanol
CID 71072786
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate
CID 171866441
1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol
CID 70065234
magnesium;2-ethoxy-1,3-dimethylbenzene-5-ide;bromide
CID 91656749
(1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol
CID 129411004

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol?
The IUPAC name of (1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol (CID 97294345) is (1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol?
The canonical SMILES for (1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol is CCOc1c(C)cc([C@H](C)O)cc1C.
What is the InChIKey of (1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol?
The InChIKey is HRLUWVGTZFSBCD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18O2/c1-5-14-12-8(2)6-11(10(4)13)7-9(12)3/h6-7,10,13H,5H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol?
(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol has a molecular weight of 194.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 97294345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).