3-ethyl-7-(3-methoxyphenyl)octan-3-ol

C17H28O2 — CID 57274135

IUPAC3-ethyl-7-(3-methoxyphenyl)octan-3-ol
SMILESCCC(O)(CC)CCCC(C)c1cccc(OC)c1
InChIInChI=1S/C17H28O2/c1-5-17(18,6-2)12-8-9-14(3)15-10-7-11-16(13-15)19-4/h7,10-11,13-14,18H,5-6,8-9,12H2,1-4H3
InChIKeyOOAAJAXWADTYBU-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.52
Rot. Bonds8

About 3-ethyl-7-(3-methoxyphenyl)octan-3-ol

3-ethyl-7-(3-methoxyphenyl)octan-3-ol (PubChem CID 57274135) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-ethyl-7-(3-methoxyphenyl)octan-3-ol.

Molecular Properties

Compound Name3-ethyl-7-(3-methoxyphenyl)octan-3-ol
PubChem CID57274135
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name3-ethyl-7-(3-methoxyphenyl)octan-3-ol
SMILESCCC(O)(CC)CCCC(C)c1cccc(OC)c1
InChIInChI=1S/C17H28O2/c1-5-17(18,6-2)12-8-9-14(3)15-10-7-11-16(13-15)19-4/h7,10-11,13-14,18H,5-6,8-9,12H2,1-4H3
InChIKeyOOAAJAXWADTYBU-UHFFFAOYSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83928904
2-(3-methoxyphenyl)propane-1-thiol
CID 20523012
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CID 123947966
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
(3R)-3-(3-methoxyphenyl)butanenitrile
CID 102340141
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
CID 103778510
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(3-methoxyphenyl)octan-3-ol?
The IUPAC name of 3-ethyl-7-(3-methoxyphenyl)octan-3-ol (CID 57274135) is 3-ethyl-7-(3-methoxyphenyl)octan-3-ol.
What is the SMILES notation for 3-ethyl-7-(3-methoxyphenyl)octan-3-ol?
The canonical SMILES for 3-ethyl-7-(3-methoxyphenyl)octan-3-ol is CCC(O)(CC)CCCC(C)c1cccc(OC)c1.
What is the InChIKey of 3-ethyl-7-(3-methoxyphenyl)octan-3-ol?
The InChIKey is OOAAJAXWADTYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-5-17(18,6-2)12-8-9-14(3)15-10-7-11-16(13-15)19-4/h7,10-11,13-14,18H,5-6,8-9,12H2,1-4H3.
What are the key properties of 3-ethyl-7-(3-methoxyphenyl)octan-3-ol?
3-ethyl-7-(3-methoxyphenyl)octan-3-ol has a molecular weight of 264.41 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(3-methoxyphenyl)octan-3-ol is sourced from PubChem (CID 57274135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).