3-ethyl-1-(4-methoxyphenyl)pentan-1-ol

C14H22O2 — CID 82920608

IUPAC3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
SMILESCCC(CC)CC(O)c1ccc(OC)cc1
InChIInChI=1S/C14H22O2/c1-4-11(5-2)10-14(15)12-6-8-13(16-3)9-7-12/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyNAIPHTIYOPSLEK-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.55
Rot. Bonds6

About 3-ethyl-1-(4-methoxyphenyl)pentan-1-ol

3-ethyl-1-(4-methoxyphenyl)pentan-1-ol (PubChem CID 82920608) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-ethyl-1-(4-methoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
PubChem CID82920608
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
SMILESCCC(CC)CC(O)c1ccc(OC)cc1
InChIInChI=1S/C14H22O2/c1-4-11(5-2)10-14(15)12-6-8-13(16-3)9-7-12/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyNAIPHTIYOPSLEK-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
2-(2-ethylbutoxy)-1-(4-methoxyphenyl)ethanol
CID 114208512
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
3-amino-1-(4-methoxyphenyl)butan-1-ol
CID 81462602
1-(4-methoxyphenyl)-3,5-dimethylhexan-1-ol
CID 114200447
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(1S,3R)-3-amino-1-(4-methoxyphenyl)butane-1,4-diol
CID 121237727
1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832253
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-[4-(dimethylamino)phenyl]-3-ethylpentan-1-ol
CID 82927874

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methoxyphenyl)pentan-1-ol?
The IUPAC name of 3-ethyl-1-(4-methoxyphenyl)pentan-1-ol (CID 82920608) is 3-ethyl-1-(4-methoxyphenyl)pentan-1-ol.
What is the SMILES notation for 3-ethyl-1-(4-methoxyphenyl)pentan-1-ol?
The canonical SMILES for 3-ethyl-1-(4-methoxyphenyl)pentan-1-ol is CCC(CC)CC(O)c1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-1-(4-methoxyphenyl)pentan-1-ol?
The InChIKey is NAIPHTIYOPSLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-11(5-2)10-14(15)12-6-8-13(16-3)9-7-12/h6-9,11,14-15H,4-5,10H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-methoxyphenyl)pentan-1-ol?
3-ethyl-1-(4-methoxyphenyl)pentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methoxyphenyl)pentan-1-ol is sourced from PubChem (CID 82920608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).