2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol

C12H16Cl2O2 — CID 23039737

IUPAC2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol
SMILESCCCC(CO)(OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O2/c1-3-6-12(8-15,16-2)10-5-4-9(13)7-11(10)14/h4-5,7,15H,3,6,8H2,1-2H3
InChIKeySSMDZKBRISDURT-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.63
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol

2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol (PubChem CID 23039737) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol
PubChem CID23039737
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol
SMILESCCCC(CO)(OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O2/c1-3-6-12(8-15,16-2)10-5-4-9(13)7-11(10)14/h4-5,7,15H,3,6,8H2,1-2H3
InChIKeySSMDZKBRISDURT-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol
CID 23039690
[2-(2,4-dichlorophenyl)-2-methoxypentyl] methanesulfonate
CID 23039678
2-(2,4-dichlorophenyl)-2-propylpentan-1-amine
CID 63515518
3-(2,4-dichlorophenyl)-2-methylheptan-3-ol
CID 139474082
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
3-(2,4-dichlorophenyl)pentan-3-amine
CID 60987757
4-(5-chloro-2-methoxyphenyl)heptan-4-amine
CID 54886842
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate
CID 118647040
(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
CID 124567259
2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine
CID 144898026
ethyl 3-(2,4-dichlorophenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62399185

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol (CID 23039737) is 2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol is CCCC(CO)(OC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol?
The InChIKey is SSMDZKBRISDURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c1-3-6-12(8-15,16-2)10-5-4-9(13)7-11(10)14/h4-5,7,15H,3,6,8H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol?
2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol has a molecular weight of 263.16 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol is sourced from PubChem (CID 23039737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).