4-butoxy-3,5-dichlorophenol

C10H12Cl2O2 — CID 91234331

IUPAC4-butoxy-3,5-dichlorophenol
SMILESCCCCOc1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C10H12Cl2O2/c1-2-3-4-14-10-8(11)5-7(13)6-9(10)12/h5-6,13H,2-4H2,1H3
InChIKeyYNFSDXHSMBKCCT-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.88
Rot. Bonds4

About 4-butoxy-3,5-dichlorophenol

4-butoxy-3,5-dichlorophenol (PubChem CID 91234331) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 4-butoxy-3,5-dichlorophenol.

Molecular Properties

Compound Name4-butoxy-3,5-dichlorophenol
PubChem CID91234331
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name4-butoxy-3,5-dichlorophenol
SMILESCCCCOc1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C10H12Cl2O2/c1-2-3-4-14-10-8(11)5-7(13)6-9(10)12/h5-6,13H,2-4H2,1H3
InChIKeyYNFSDXHSMBKCCT-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol
CID 54186812
4-butoxy-3,5-dichlorobenzoyl chloride
CID 87280604
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
2-butoxy-1,3,4,5-tetrachlorobenzene
CID 91736828
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
3,5-dichloro-4-[4-(2,2-diethoxyethoxy)butoxy]phenol
CID 23282379
[4-[4-(2,6-dichloro-4-hydroxyphenoxy)butoxy]phenyl] N,N-dipropylcarbamate
CID 67719154
(4-butoxy-3,5-dichlorophenyl)methyl-propylazanium
CID 2236966
3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
CID 18504590
3,5-dichloro-2-propoxyphenol
CID 82267104
(Z)-2-amino-2-(3,5-dichloro-4-pentoxyphenyl)ethenethiol
CID 88904671

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3,5-dichlorophenol?
The IUPAC name of 4-butoxy-3,5-dichlorophenol (CID 91234331) is 4-butoxy-3,5-dichlorophenol.
What is the SMILES notation for 4-butoxy-3,5-dichlorophenol?
The canonical SMILES for 4-butoxy-3,5-dichlorophenol is CCCCOc1c(Cl)cc(O)cc1Cl.
What is the InChIKey of 4-butoxy-3,5-dichlorophenol?
The InChIKey is YNFSDXHSMBKCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-2-3-4-14-10-8(11)5-7(13)6-9(10)12/h5-6,13H,2-4H2,1H3.
What are the key properties of 4-butoxy-3,5-dichlorophenol?
4-butoxy-3,5-dichlorophenol has a molecular weight of 235.11 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3,5-dichlorophenol is sourced from PubChem (CID 91234331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).