4-chloro-4-(3,4-dichlorophenyl)butan-1-ol

C10H11Cl3O — CID 82366996

IUPAC4-chloro-4-(3,4-dichlorophenyl)butan-1-ol
SMILESOCCCC(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl3O/c11-8(2-1-5-14)7-3-4-9(12)10(13)6-7/h3-4,6,8,14H,1-2,5H2
InChIKeyUTGZVNNEXYKWOG-UHFFFAOYSA-N
MW253.56 g/mol
LogP4.05
Rot. Bonds4

About 4-chloro-4-(3,4-dichlorophenyl)butan-1-ol

4-chloro-4-(3,4-dichlorophenyl)butan-1-ol (PubChem CID 82366996) has the molecular formula C10H11Cl3O and a molecular weight of 253.56 g/mol. Its IUPAC name is 4-chloro-4-(3,4-dichlorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-chloro-4-(3,4-dichlorophenyl)butan-1-ol
PubChem CID82366996
Molecular FormulaC10H11Cl3O
Molecular Weight253.56 g/mol
Exact Mass251.99
IUPAC Name4-chloro-4-(3,4-dichlorophenyl)butan-1-ol
SMILESOCCCC(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl3O/c11-8(2-1-5-14)7-3-4-9(12)10(13)6-7/h3-4,6,8,14H,1-2,5H2
InChIKeyUTGZVNNEXYKWOG-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-4-(4-methylphenyl)butan-1-ol
CID 82366948
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene
CID 103210698
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
4-chloro-4-(4-fluoro-3-nitrophenyl)butan-1-ol
CID 82366987
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol
CID 82366966
(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol
CID 171204447
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
N-[2-chloro-2-(3,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine;hydrochloride
CID 14820786
(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
CID 171203024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-4-(3,4-dichlorophenyl)butan-1-ol?
The IUPAC name of 4-chloro-4-(3,4-dichlorophenyl)butan-1-ol (CID 82366996) is 4-chloro-4-(3,4-dichlorophenyl)butan-1-ol.
What is the SMILES notation for 4-chloro-4-(3,4-dichlorophenyl)butan-1-ol?
The canonical SMILES for 4-chloro-4-(3,4-dichlorophenyl)butan-1-ol is OCCCC(Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-4-(3,4-dichlorophenyl)butan-1-ol?
The InChIKey is UTGZVNNEXYKWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3O/c11-8(2-1-5-14)7-3-4-9(12)10(13)6-7/h3-4,6,8,14H,1-2,5H2.
What are the key properties of 4-chloro-4-(3,4-dichlorophenyl)butan-1-ol?
4-chloro-4-(3,4-dichlorophenyl)butan-1-ol has a molecular weight of 253.56 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-4-(3,4-dichlorophenyl)butan-1-ol is sourced from PubChem (CID 82366996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).