1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol

C13H19ClO3 — CID 65091964

IUPAC1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClO3/c1-16-7-3-4-12(15)9-10-8-11(14)5-6-13(10)17-2/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyCZEAYAMEXFWCAQ-UHFFFAOYSA-N
MW258.74 g/mol
LogP2.68
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol

1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol (PubChem CID 65091964) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
PubChem CID65091964
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClO3/c1-16-7-3-4-12(15)9-10-8-11(14)5-6-13(10)17-2/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyCZEAYAMEXFWCAQ-UHFFFAOYSA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4-methylsulfanylbutan-2-ol
CID 65148808
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CID 62608604
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
CID 115788751
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol
CID 65129834
1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-ol
CID 114855035
1-(2-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
CID 112653463
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol (CID 65091964) is 1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol is COCCCC(O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol?
The InChIKey is CZEAYAMEXFWCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-16-7-3-4-12(15)9-10-8-11(14)5-6-13(10)17-2/h5-6,8,12,15H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol?
1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol has a molecular weight of 258.74 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol is sourced from PubChem (CID 65091964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).