1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol

C12H18O3 — CID 10703654

IUPAC1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
SMILESCCC(O)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C12H18O3/c1-5-10(13)9-7-11(14-3)8(2)6-12(9)15-4/h6-7,10,13H,5H2,1-4H3
InChIKeyCAWFXYMATJZILQ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.46
Rot. Bonds4

About 1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol

1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol (PubChem CID 10703654) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
PubChem CID10703654
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
SMILESCCC(O)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C12H18O3/c1-5-10(13)9-7-11(14-3)8(2)6-12(9)15-4/h6-7,10,13H,5H2,1-4H3
InChIKeyCAWFXYMATJZILQ-UHFFFAOYSA-N
XLogP2.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
CID 82268059
2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 82113342
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol
CID 46307253
1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
CID 144980692
2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 112510505
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol
CID 112512368
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol?
The IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol (CID 10703654) is 1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol is CCC(O)c1cc(OC)c(C)cc1OC.
What is the InChIKey of 1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol?
The InChIKey is CAWFXYMATJZILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-10(13)9-7-11(14-3)8(2)6-12(9)15-4/h6-7,10,13H,5H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol?
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 10703654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).