1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol

C16H25ClO2 — CID 104817350

IUPAC1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1c(Cl)cccc1OC
InChIInChI=1S/C16H25ClO2/c1-4-6-8-12(5-2)11-14(18)16-13(17)9-7-10-15(16)19-3/h7,9-10,12,14,18H,4-6,8,11H2,1-3H3
InChIKeyYBUVPGJCWVFROV-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.99
Rot. Bonds8

About 1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol

1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol (PubChem CID 104817350) has the molecular formula C16H25ClO2 and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol
PubChem CID104817350
Molecular FormulaC16H25ClO2
Molecular Weight284.83 g/mol
Exact Mass284.15
IUPAC Name1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1c(Cl)cccc1OC
InChIInChI=1S/C16H25ClO2/c1-4-6-8-12(5-2)11-14(18)16-13(17)9-7-10-15(16)19-3/h7,9-10,12,14,18H,4-6,8,11H2,1-3H3
InChIKeyYBUVPGJCWVFROV-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
CID 104817046
(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol
CID 66633917
1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol
CID 113456462
(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol
CID 137375812
3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol
CID 105066192
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]butanenitrile
CID 104819040
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
[2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium
CID 70014987
3-ethyl-1-(2-methylphenyl)heptan-1-ol
CID 63411121
1-(2-chloro-6-methoxyphenyl)-2-pyridin-2-ylethanol
CID 113456442

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol (CID 104817350) is 1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol is CCCCC(CC)CC(O)c1c(Cl)cccc1OC.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol?
The InChIKey is YBUVPGJCWVFROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO2/c1-4-6-8-12(5-2)11-14(18)16-13(17)9-7-10-15(16)19-3/h7,9-10,12,14,18H,4-6,8,11H2,1-3H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol?
1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol has a molecular weight of 284.83 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol is sourced from PubChem (CID 104817350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).