1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol

C13H20O2 — CID 114976753

IUPAC1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
SMILESCOc1cccc(C(O)C(C)C(C)C)c1
InChIInChI=1S/C13H20O2/c1-9(2)10(3)13(14)11-6-5-7-12(8-11)15-4/h5-10,13-14H,1-4H3
InChIKeyMQGQLARUIIHCKP-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.02
Rot. Bonds4

About 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol

1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol (PubChem CID 114976753) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
PubChem CID114976753
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
SMILESCOc1cccc(C(O)C(C)C(C)C)c1
InChIInChI=1S/C13H20O2/c1-9(2)10(3)13(14)11-6-5-7-12(8-11)15-4/h5-10,13-14H,1-4H3
InChIKeyMQGQLARUIIHCKP-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
methyl 2-[hydroxy-(3-methoxyphenyl)methyl]-3-methylbutanoate
CID 62394027
1-(3-methoxyphenyl)butane-1,2,4-triol
CID 171871929
1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283
1-(3-methoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859509
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol
CID 175226142

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol?
The IUPAC name of 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol (CID 114976753) is 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol is COc1cccc(C(O)C(C)C(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol?
The InChIKey is MQGQLARUIIHCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)10(3)13(14)11-6-5-7-12(8-11)15-4/h5-10,13-14H,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol?
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 114976753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).