(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol

C12H18O2 — CID 97294196

IUPAC(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
SMILESCC[C@@](C)(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H18O2/c1-5-12(3,13)10-6-7-11(14-4)9(2)8-10/h6-8,13H,5H2,1-4H3/t12-/m1/s1
InChIKeyNPLYTDNQYGALSO-GFCCVEGCSA-N
MW194.27 g/mol
LogP2.62
Rot. Bonds3

About (2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol

(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol (PubChem CID 97294196) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
PubChem CID97294196
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
SMILESCC[C@@](C)(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H18O2/c1-5-12(3,13)10-6-7-11(14-4)9(2)8-10/h6-8,13H,5H2,1-4H3/t12-/m1/s1
InChIKeyNPLYTDNQYGALSO-GFCCVEGCSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
1,1-bis(4-methoxy-3-methylphenyl)-2-phenylethanol
CID 57233562
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
CID 20723728
1-[4-[3-(4-methoxy-3-methylphenyl)pentan-3-yl]phenoxy]-2,3-dimethylpentan-3-ol
CID 143054622
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene
CID 171057442
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol?
The IUPAC name of (2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol (CID 97294196) is (2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol.
What is the SMILES notation for (2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol?
The canonical SMILES for (2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol is CC[C@@](C)(O)c1ccc(OC)c(C)c1.
What is the InChIKey of (2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol?
The InChIKey is NPLYTDNQYGALSO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-12(3,13)10-6-7-11(14-4)9(2)8-10/h6-8,13H,5H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol?
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol has a molecular weight of 194.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol is sourced from PubChem (CID 97294196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).