(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol

C12H18O2 — CID 102519814

IUPAC(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
SMILESCCC(C)[C@@H](O)c1cccc(OC)c1
InChIInChI=1S/C12H18O2/c1-4-9(2)12(13)10-6-5-7-11(8-10)14-3/h5-9,12-13H,4H2,1-3H3/t9?,12-/m1/s1
InChIKeySQTJESXAEDJKCV-FFFFSGIJSA-N
MW194.27 g/mol
LogP2.77
Rot. Bonds4

About (1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol

(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol (PubChem CID 102519814) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
PubChem CID102519814
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
SMILESCCC(C)[C@@H](O)c1cccc(OC)c1
InChIInChI=1S/C12H18O2/c1-4-9(2)12(13)10-6-5-7-11(8-10)14-3/h5-9,12-13H,4H2,1-3H3/t9?,12-/m1/s1
InChIKeySQTJESXAEDJKCV-FFFFSGIJSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol
CID 175226142
1-[3-(methoxymethyl)phenyl]-2-methylbutan-1-ol
CID 79446126
1-(3-methoxyphenyl)butane-1,2,4-triol
CID 171871929
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
5-(3-methoxyphenyl)heptane-2,3-diol
CID 83928989
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol (CID 102519814) is (1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol is CCC(C)[C@@H](O)c1cccc(OC)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol?
The InChIKey is SQTJESXAEDJKCV-FFFFSGIJSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-9(2)12(13)10-6-5-7-11(8-10)14-3/h5-9,12-13H,4H2,1-3H3/t9?,12-/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol?
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 102519814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).