2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol

C16H25ClO2 — CID 66059544

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C16H25ClO2/c1-4-6-9-16(5-2,12-18)11-13-10-14(17)7-8-15(13)19-3/h7-8,10,18H,4-6,9,11-12H2,1-3H3
InChIKeyPATZZYGNBVMNLN-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.47
Rot. Bonds8

About 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol

2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol (PubChem CID 66059544) has the molecular formula C16H25ClO2 and a molecular weight of 284.83 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
PubChem CID66059544
Molecular FormulaC16H25ClO2
Molecular Weight284.83 g/mol
Exact Mass284.15
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C16H25ClO2/c1-4-6-9-16(5-2,12-18)11-13-10-14(17)7-8-15(13)19-3/h7-8,10,18H,4-6,9,11-12H2,1-3H3
InChIKeyPATZZYGNBVMNLN-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63509806
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol
CID 66057665
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63507590
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 103049706
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
1-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996259
3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 62622768
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151151
2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol
CID 106506364
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
CID 115788751

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol (CID 66059544) is 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol is CCCCC(CC)(CO)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol?
The InChIKey is PATZZYGNBVMNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO2/c1-4-6-9-16(5-2,12-18)11-13-10-14(17)7-8-15(13)19-3/h7-8,10,18H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol?
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol has a molecular weight of 284.83 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol is sourced from PubChem (CID 66059544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).