(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol

C11H16O2 — CID 68649923

IUPAC(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol
SMILESCOc1ccc(C)c(C[C@@H](C)O)c1
InChIInChI=1S/C11H16O2/c1-8-4-5-11(13-3)7-10(8)6-9(2)12/h4-5,7,9,12H,6H2,1-3H3/t9-/m1/s1
InChIKeyNCFRFBOXIPIYAO-SECBINFHSA-N
MW180.25 g/mol
LogP1.93
Rot. Bonds3

About (2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol

(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol (PubChem CID 68649923) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol
PubChem CID68649923
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol
SMILESCOc1ccc(C)c(C[C@@H](C)O)c1
InChIInChI=1S/C11H16O2/c1-8-4-5-11(13-3)7-10(8)6-9(2)12/h4-5,7,9,12H,6H2,1-3H3/t9-/m1/s1
InChIKeyNCFRFBOXIPIYAO-SECBINFHSA-N
XLogP1.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol
CID 117300552
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
1-(5-methoxy-2-methylphenyl)ethanol
CID 84652412
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 62537711
1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol
CID 117286502
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
butane;ethane;2-ethyl-4-methoxy-1-methylbenzene
CID 178178141
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
CID 117308664
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
4-(2-amino-5-methoxyphenyl)butan-2-ol
CID 23434309

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol?
The IUPAC name of (2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol (CID 68649923) is (2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol.
What is the SMILES notation for (2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol?
The canonical SMILES for (2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol is COc1ccc(C)c(C[C@@H](C)O)c1.
What is the InChIKey of (2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol?
The InChIKey is NCFRFBOXIPIYAO-SECBINFHSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-4-5-11(13-3)7-10(8)6-9(2)12/h4-5,7,9,12H,6H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol?
(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 68649923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).