1-(3,5-dimethoxyphenyl)propan-1-ol

C11H16O3 — CID 42957590

IUPAC1-(3,5-dimethoxyphenyl)propan-1-ol
SMILESCCC(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C11H16O3/c1-4-11(12)8-5-9(13-2)7-10(6-8)14-3/h5-7,11-12H,4H2,1-3H3
InChIKeyKVVMCOXXZIIDGN-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.15
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)propan-1-ol

1-(3,5-dimethoxyphenyl)propan-1-ol (PubChem CID 42957590) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)propan-1-ol
PubChem CID42957590
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(3,5-dimethoxyphenyl)propan-1-ol
SMILESCCC(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C11H16O3/c1-4-11(12)8-5-9(13-2)7-10(6-8)14-3/h5-7,11-12H,4H2,1-3H3
InChIKeyKVVMCOXXZIIDGN-UHFFFAOYSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
1-(3,5-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 115817579
1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol
CID 103459693
1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 63016216
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol
CID 115834477
(1R,3R)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171237724
(1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171236808
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
(1R,3R)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237725
6-(3,5-dimethoxyphenyl)-6-hydroxyhexane-2,4-dione
CID 10778147
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)propan-1-ol (CID 42957590) is 1-(3,5-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)propan-1-ol is CCC(O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)propan-1-ol?
The InChIKey is KVVMCOXXZIIDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-11(12)8-5-9(13-2)7-10(6-8)14-3/h5-7,11-12H,4H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)propan-1-ol?
1-(3,5-dimethoxyphenyl)propan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 42957590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).