4-(2,5-dichlorophenyl)butan-1-ol

C10H12Cl2O — CID 65316386

IUPAC4-(2,5-dichlorophenyl)butan-1-ol
SMILESOCCCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2O/c11-9-4-5-10(12)8(7-9)3-1-2-6-13/h4-5,7,13H,1-3,6H2
InChIKeyKNZBYSOOWCIEOK-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.31
Rot. Bonds4

About 4-(2,5-dichlorophenyl)butan-1-ol

4-(2,5-dichlorophenyl)butan-1-ol (PubChem CID 65316386) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)butan-1-ol
PubChem CID65316386
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name4-(2,5-dichlorophenyl)butan-1-ol
SMILESOCCCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2O/c11-9-4-5-10(12)8(7-9)3-1-2-6-13/h4-5,7,13H,1-3,6H2
InChIKeyKNZBYSOOWCIEOK-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one
CID 11543297
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol
CID 111472477
1,4-dichloro-2-(4-chloropentyl)benzene
CID 65316185
1,4-dichloro-2-(3-chlorobut-3-enyl)benzene
CID 24722005
3-(2,5-dichlorophenyl)propanethioamide
CID 83931369
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
CID 117374971
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)butan-1-ol?
The IUPAC name of 4-(2,5-dichlorophenyl)butan-1-ol (CID 65316386) is 4-(2,5-dichlorophenyl)butan-1-ol.
What is the SMILES notation for 4-(2,5-dichlorophenyl)butan-1-ol?
The canonical SMILES for 4-(2,5-dichlorophenyl)butan-1-ol is OCCCCc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenyl)butan-1-ol?
The InChIKey is KNZBYSOOWCIEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c11-9-4-5-10(12)8(7-9)3-1-2-6-13/h4-5,7,13H,1-3,6H2.
What are the key properties of 4-(2,5-dichlorophenyl)butan-1-ol?
4-(2,5-dichlorophenyl)butan-1-ol has a molecular weight of 219.11 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)butan-1-ol is sourced from PubChem (CID 65316386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).