2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol

C15H14Cl2O3 — CID 174353269

IUPAC2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol
SMILESOc1ccc(OCCCOc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H14Cl2O3/c16-11-2-4-12(5-3-11)19-8-1-9-20-13-6-7-15(18)14(17)10-13/h2-7,10,18H,1,8-9H2
InChIKeyZQASIACLONHVPF-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.55
Rot. Bonds6

About 2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol

2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol (PubChem CID 174353269) has the molecular formula C15H14Cl2O3 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol.

Molecular Properties

Compound Name2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol
PubChem CID174353269
Molecular FormulaC15H14Cl2O3
Molecular Weight313.18 g/mol
Exact Mass312.03
IUPAC Name2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol
SMILESOc1ccc(OCCCOc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H14Cl2O3/c16-11-2-4-12(5-3-11)19-8-1-9-20-13-6-7-15(18)14(17)10-13/h2-7,10,18H,1,8-9H2
InChIKeyZQASIACLONHVPF-UHFFFAOYSA-N
XLogP4.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302
2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol
CID 174367428
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide
CID 174392041
O-[3-(4-chlorophenoxy)propyl]hydroxylamine;hydrochloride
CID 23437061
1,3-dichloro-2-[3-(4-chlorophenoxy)propoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54295507
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
2-chloro-4-[4-(3-chloro-4,4,4-trifluorobut-2-enoxy)butoxy]phenol
CID 73412517
N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide
CID 151448271
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
4-[3-(4-chlorophenoxy)propoxy]-3,5-di(propan-2-yl)phenol
CID 54413932

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol?
The IUPAC name of 2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol (CID 174353269) is 2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol.
What is the SMILES notation for 2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol?
The canonical SMILES for 2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol is Oc1ccc(OCCCOc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol?
The InChIKey is ZQASIACLONHVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3/c16-11-2-4-12(5-3-11)19-8-1-9-20-13-6-7-15(18)14(17)10-13/h2-7,10,18H,1,8-9H2.
What are the key properties of 2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol?
2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol has a molecular weight of 313.18 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol is sourced from PubChem (CID 174353269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).