4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol

C18H30O2 — CID 66058427

IUPAC4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
SMILESCCCCC(CC)CC(CO)Cc1ccc(OC)cc1
InChIInChI=1S/C18H30O2/c1-4-6-7-15(5-2)12-17(14-19)13-16-8-10-18(20-3)11-9-16/h8-11,15,17,19H,4-7,12-14H2,1-3H3
InChIKeyNBYPAQPISCBBPV-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.45
Rot. Bonds10

About 4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol

4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol (PubChem CID 66058427) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
PubChem CID66058427
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
SMILESCCCCC(CC)CC(CO)Cc1ccc(OC)cc1
InChIInChI=1S/C18H30O2/c1-4-6-7-15(5-2)12-17(14-19)13-16-8-10-18(20-3)11-9-16/h8-11,15,17,19H,4-7,12-14H2,1-3H3
InChIKeyNBYPAQPISCBBPV-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid
CID 63402034
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate
CID 163607999
1-ethoxy-4-(2-ethylhexyl)benzene
CID 91334560
2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol
CID 66059498
4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol
CID 66058011
1-[2-(bromomethyl)undecyl]-4-methoxybenzene
CID 66041899
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol?
The IUPAC name of 4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol (CID 66058427) is 4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol.
What is the SMILES notation for 4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol?
The canonical SMILES for 4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol is CCCCC(CC)CC(CO)Cc1ccc(OC)cc1.
What is the InChIKey of 4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol?
The InChIKey is NBYPAQPISCBBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-4-6-7-15(5-2)12-17(14-19)13-16-8-10-18(20-3)11-9-16/h8-11,15,17,19H,4-7,12-14H2,1-3H3.
What are the key properties of 4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol?
4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol is sourced from PubChem (CID 66058427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).