4-(2,4-dichlorophenyl)-3-methylbutan-1-ol

C11H14Cl2O — CID 67212453

IUPAC4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
SMILESCC(CCO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2O/c1-8(4-5-14)6-9-2-3-10(12)7-11(9)13/h2-3,7-8,14H,4-6H2,1H3
InChIKeyBEOLRSPLWYJYMF-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.55
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-3-methylbutan-1-ol

4-(2,4-dichlorophenyl)-3-methylbutan-1-ol (PubChem CID 67212453) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
PubChem CID67212453
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
SMILESCC(CCO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2O/c1-8(4-5-14)6-9-2-3-10(12)7-11(9)13/h2-3,7-8,14H,4-6H2,1H3
InChIKeyBEOLRSPLWYJYMF-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol
CID 142816012
1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505680
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750934
3-(2,4-dichlorophenyl)-2-methylpropanal
CID 91884147
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-methylbutan-1-ol (CID 67212453) is 4-(2,4-dichlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-methylbutan-1-ol is CC(CCO)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-methylbutan-1-ol?
The InChIKey is BEOLRSPLWYJYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-8(4-5-14)6-9-2-3-10(12)7-11(9)13/h2-3,7-8,14H,4-6H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-3-methylbutan-1-ol?
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol has a molecular weight of 233.14 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 67212453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).