2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol

C13H20O2 — CID 116964178

IUPAC2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
SMILESCCC(CO)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H20O2/c1-5-11(8-14)12-6-9(2)13(15-4)10(3)7-12/h6-7,11,14H,5,8H2,1-4H3
InChIKeyRQRGFXTWQZGVKQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol

2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol (PubChem CID 116964178) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
PubChem CID116964178
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
SMILESCCC(CO)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H20O2/c1-5-11(8-14)12-6-9(2)13(15-4)10(3)7-12/h6-7,11,14H,5,8H2,1-4H3
InChIKeyRQRGFXTWQZGVKQ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
CID 116913282
2-(3-methoxy-4-methylphenyl)butan-1-ol
CID 139504441
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83056847
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712
2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol
CID 66965840
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
[4-[(4-methoxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl]methanol
CID 158830196

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol (CID 116964178) is 2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol is CCC(CO)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol?
The InChIKey is RQRGFXTWQZGVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-11(8-14)12-6-9(2)13(15-4)10(3)7-12/h6-7,11,14H,5,8H2,1-4H3.
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol?
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 116964178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).