(1R)-1-(4-methyl-2-propoxyphenyl)ethanol

C12H18O2 — CID 63650759

IUPAC(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
SMILESCCCOc1cc(C)ccc1[C@@H](C)O
InChIInChI=1S/C12H18O2/c1-4-7-14-12-8-9(2)5-6-11(12)10(3)13/h5-6,8,10,13H,4,7H2,1-3H3/t10-/m1/s1
InChIKeyWBOAGUWSFLUPAB-SNVBAGLBSA-N
MW194.27 g/mol
LogP2.84
Rot. Bonds4

About (1R)-1-(4-methyl-2-propoxyphenyl)ethanol

(1R)-1-(4-methyl-2-propoxyphenyl)ethanol (PubChem CID 63650759) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1R)-1-(4-methyl-2-propoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
PubChem CID63650759
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
SMILESCCCOc1cc(C)ccc1[C@@H](C)O
InChIInChI=1S/C12H18O2/c1-4-7-14-12-8-9(2)5-6-11(12)10(3)13/h5-6,8,10,13H,4,7H2,1-3H3/t10-/m1/s1
InChIKeyWBOAGUWSFLUPAB-SNVBAGLBSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472830
4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
CID 79356014
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
5-[2-(1-hydroxyethyl)-5-methylphenoxy]pentanenitrile
CID 63650293
5-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]pentanenitrile
CID 55246869
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
CID 63651849
3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol
CID 104930653

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methyl-2-propoxyphenyl)ethanol?
The IUPAC name of (1R)-1-(4-methyl-2-propoxyphenyl)ethanol (CID 63650759) is (1R)-1-(4-methyl-2-propoxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-(4-methyl-2-propoxyphenyl)ethanol?
The canonical SMILES for (1R)-1-(4-methyl-2-propoxyphenyl)ethanol is CCCOc1cc(C)ccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-(4-methyl-2-propoxyphenyl)ethanol?
The InChIKey is WBOAGUWSFLUPAB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-7-14-12-8-9(2)5-6-11(12)10(3)13/h5-6,8,10,13H,4,7H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-methyl-2-propoxyphenyl)ethanol?
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol has a molecular weight of 194.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methyl-2-propoxyphenyl)ethanol is sourced from PubChem (CID 63650759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).