1-(3,5-dimethyl-4-propoxyphenyl)ethanol

C13H20O2 — CID 91657661

IUPAC1-(3,5-dimethyl-4-propoxyphenyl)ethanol
SMILESCCCOc1c(C)cc(C(C)O)cc1C
InChIInChI=1S/C13H20O2/c1-5-6-15-13-9(2)7-12(11(4)14)8-10(13)3/h7-8,11,14H,5-6H2,1-4H3
InChIKeyWFQCVIOBSKIVFJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.15
Rot. Bonds4

About 1-(3,5-dimethyl-4-propoxyphenyl)ethanol

1-(3,5-dimethyl-4-propoxyphenyl)ethanol (PubChem CID 91657661) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3,5-dimethyl-4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethyl-4-propoxyphenyl)ethanol
PubChem CID91657661
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(3,5-dimethyl-4-propoxyphenyl)ethanol
SMILESCCCOc1c(C)cc(C(C)O)cc1C
InChIInChI=1S/C13H20O2/c1-5-6-15-13-9(2)7-12(11(4)14)8-10(13)3/h7-8,11,14H,5-6H2,1-4H3
InChIKeyWFQCVIOBSKIVFJ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 97294345
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63061678
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
CID 43276803
ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene
CID 90702699
1,3-dimethyl-2-propoxybenzene
CID 579040
magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide
CID 91657502
6-(3,5-dimethyl-2-propoxyphenyl)heptane-3,4-diol
CID 83942268
N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100741200
(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
CID 97294393
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
CID 90397544
1-(3,5-dimethyl-2-propoxyphenyl)hexane-3,4-diol
CID 83942267

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-4-propoxyphenyl)ethanol?
The IUPAC name of 1-(3,5-dimethyl-4-propoxyphenyl)ethanol (CID 91657661) is 1-(3,5-dimethyl-4-propoxyphenyl)ethanol.
What is the SMILES notation for 1-(3,5-dimethyl-4-propoxyphenyl)ethanol?
The canonical SMILES for 1-(3,5-dimethyl-4-propoxyphenyl)ethanol is CCCOc1c(C)cc(C(C)O)cc1C.
What is the InChIKey of 1-(3,5-dimethyl-4-propoxyphenyl)ethanol?
The InChIKey is WFQCVIOBSKIVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-6-15-13-9(2)7-12(11(4)14)8-10(13)3/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-4-propoxyphenyl)ethanol?
1-(3,5-dimethyl-4-propoxyphenyl)ethanol has a molecular weight of 208.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-4-propoxyphenyl)ethanol is sourced from PubChem (CID 91657661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).