3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol

C14H20Cl2O — CID 112743445

IUPAC3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)(Cc1cccc(Cl)c1Cl)C(C)C
InChIInChI=1S/C14H20Cl2O/c1-9(2)14(17,10(3)4)8-11-6-5-7-12(15)13(11)16/h5-7,9-10,17H,8H2,1-4H3
InChIKeyYYKDCMFTOBMXRY-UHFFFAOYSA-N
MW275.22 g/mol
LogP4.58
Rot. Bonds4

About 3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol

3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol (PubChem CID 112743445) has the molecular formula C14H20Cl2O and a molecular weight of 275.22 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol
PubChem CID112743445
Molecular FormulaC14H20Cl2O
Molecular Weight275.22 g/mol
Exact Mass274.09
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)(Cc1cccc(Cl)c1Cl)C(C)C
InChIInChI=1S/C14H20Cl2O/c1-9(2)14(17,10(3)4)8-11-6-5-7-12(15)13(11)16/h5-7,9-10,17H,8H2,1-4H3
InChIKeyYYKDCMFTOBMXRY-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol
CID 107310643
1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol
CID 107307645
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine
CID 107307745
2-(3-chlorophenyl)-1-(2,3-dichlorophenyl)propan-2-ol
CID 107307348
1-[2,2-bis(chloromethyl)pentyl]-2,3-dichlorobenzene
CID 107310887
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 107307633
2-[(2,3-dichlorophenyl)methyl]-2-methylbut-3-en-1-ol
CID 107310753
1-(2,3-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 107308075
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol (CID 112743445) is 3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol is CC(C)C(O)(Cc1cccc(Cl)c1Cl)C(C)C.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol?
The InChIKey is YYKDCMFTOBMXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O/c1-9(2)14(17,10(3)4)8-11-6-5-7-12(15)13(11)16/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol?
3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol has a molecular weight of 275.22 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol is sourced from PubChem (CID 112743445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).