4-ethyl-2-(2-methoxyphenyl)octan-2-ol

C17H28O2 — CID 63407220

IUPAC4-ethyl-2-(2-methoxyphenyl)octan-2-ol
SMILESCCCCC(CC)CC(C)(O)c1ccccc1OC
InChIInChI=1S/C17H28O2/c1-5-7-10-14(6-2)13-17(3,18)15-11-8-9-12-16(15)19-4/h8-9,11-12,14,18H,5-7,10,13H2,1-4H3
InChIKeyMUWCQSAHUAFWKY-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.51
Rot. Bonds8

About 4-ethyl-2-(2-methoxyphenyl)octan-2-ol

4-ethyl-2-(2-methoxyphenyl)octan-2-ol (PubChem CID 63407220) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-ethyl-2-(2-methoxyphenyl)octan-2-ol.

Molecular Properties

Compound Name4-ethyl-2-(2-methoxyphenyl)octan-2-ol
PubChem CID63407220
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name4-ethyl-2-(2-methoxyphenyl)octan-2-ol
SMILESCCCCC(CC)CC(C)(O)c1ccccc1OC
InChIInChI=1S/C17H28O2/c1-5-7-10-14(6-2)13-17(3,18)15-11-8-9-12-16(15)19-4/h8-9,11-12,14,18H,5-7,10,13H2,1-4H3
InChIKeyMUWCQSAHUAFWKY-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
(2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite
CID 54359277
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
2-(2-methoxyphenyl)-3-methylhexan-2-ol
CID 107892512
4-ethyl-2-(2-methylphenyl)octan-2-amine
CID 63408267
[2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite
CID 67658344
2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol
CID 63407052
1-methoxy-2-(9-methylnonadecan-9-yl)benzene
CID 135163718
2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol
CID 71722424
3-hydroxy-3-(2-methoxyphenyl)butanenitrile
CID 79117864
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
3-benzyl-5-ethylnonan-3-ol
CID 79007570

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methoxyphenyl)octan-2-ol?
The IUPAC name of 4-ethyl-2-(2-methoxyphenyl)octan-2-ol (CID 63407220) is 4-ethyl-2-(2-methoxyphenyl)octan-2-ol.
What is the SMILES notation for 4-ethyl-2-(2-methoxyphenyl)octan-2-ol?
The canonical SMILES for 4-ethyl-2-(2-methoxyphenyl)octan-2-ol is CCCCC(CC)CC(C)(O)c1ccccc1OC.
What is the InChIKey of 4-ethyl-2-(2-methoxyphenyl)octan-2-ol?
The InChIKey is MUWCQSAHUAFWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-5-7-10-14(6-2)13-17(3,18)15-11-8-9-12-16(15)19-4/h8-9,11-12,14,18H,5-7,10,13H2,1-4H3.
What are the key properties of 4-ethyl-2-(2-methoxyphenyl)octan-2-ol?
4-ethyl-2-(2-methoxyphenyl)octan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methoxyphenyl)octan-2-ol is sourced from PubChem (CID 63407220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).