4-(chloromethyl)-3-(3-chloropropyl)phenol

C10H12Cl2O — CID 131386384

IUPAC4-(chloromethyl)-3-(3-chloropropyl)phenol
SMILESOc1ccc(CCl)c(CCCCl)c1
InChIInChI=1S/C10H12Cl2O/c11-5-1-2-8-6-10(13)4-3-9(8)7-12/h3-4,6,13H,1-2,5,7H2
InChIKeyHQQBAZMMJZODRG-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.30
Rot. Bonds4

About 4-(chloromethyl)-3-(3-chloropropyl)phenol

4-(chloromethyl)-3-(3-chloropropyl)phenol (PubChem CID 131386384) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(3-chloropropyl)phenol.

Molecular Properties

Compound Name4-(chloromethyl)-3-(3-chloropropyl)phenol
PubChem CID131386384
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name4-(chloromethyl)-3-(3-chloropropyl)phenol
SMILESOc1ccc(CCl)c(CCCCl)c1
InChIInChI=1S/C10H12Cl2O/c11-5-1-2-8-6-10(13)4-3-9(8)7-12/h3-4,6,13H,1-2,5,7H2
InChIKeyHQQBAZMMJZODRG-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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

3-(3-bromopropyl)-4-(chloromethyl)phenol
CID 131307247
2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid
CID 118848081
4-(chloromethyl)-3-fluorophenol
CID 54246792
2-(3-hydroxypropyl)benzene-1,4-diol
CID 19362191
2-tridecylbenzene-1,4-diol
CID 19033717
4-(chloromethyl)-3-(2-hydroxyphenyl)phenol
CID 139509344
2-(3-chloropropyl)-1,4-diethylbenzene
CID 83920895
3-(chloromethyl)-4-nitrophenol
CID 15065078
4-bromo-2-butyl-1-(chloromethyl)benzene
CID 118230825
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
4-chloro-2-(6-chlorohexyl)phenol
CID 139899855

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(3-chloropropyl)phenol?
The IUPAC name of 4-(chloromethyl)-3-(3-chloropropyl)phenol (CID 131386384) is 4-(chloromethyl)-3-(3-chloropropyl)phenol.
What is the SMILES notation for 4-(chloromethyl)-3-(3-chloropropyl)phenol?
The canonical SMILES for 4-(chloromethyl)-3-(3-chloropropyl)phenol is Oc1ccc(CCl)c(CCCCl)c1.
What is the InChIKey of 4-(chloromethyl)-3-(3-chloropropyl)phenol?
The InChIKey is HQQBAZMMJZODRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c11-5-1-2-8-6-10(13)4-3-9(8)7-12/h3-4,6,13H,1-2,5,7H2.
What are the key properties of 4-(chloromethyl)-3-(3-chloropropyl)phenol?
4-(chloromethyl)-3-(3-chloropropyl)phenol has a molecular weight of 219.11 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(3-chloropropyl)phenol is sourced from PubChem (CID 131386384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).