1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene

C18H18Cl4O — CID 170552338

IUPAC1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene
SMILESClCC(Cl)Cc1ccc(Oc2ccccc2)cc1CC(Cl)CCl
InChIInChI=1S/C18H18Cl4O/c19-11-15(21)8-13-6-7-18(10-14(13)9-16(22)12-20)23-17-4-2-1-3-5-17/h1-7,10,15-16H,8-9,11-12H2
InChIKeyABNLWGWTYXDQCF-UHFFFAOYSA-N
MW392.15 g/mol
LogP6.26
Rot. Bonds8

About 1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene

1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene (PubChem CID 170552338) has the molecular formula C18H18Cl4O and a molecular weight of 392.15 g/mol. Its IUPAC name is 1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene.

Molecular Properties

Compound Name1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene
PubChem CID170552338
Molecular FormulaC18H18Cl4O
Molecular Weight392.15 g/mol
Exact Mass390.01
IUPAC Name1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene
SMILESClCC(Cl)Cc1ccc(Oc2ccccc2)cc1CC(Cl)CCl
InChIInChI=1S/C18H18Cl4O/c19-11-15(21)8-13-6-7-18(10-14(13)9-16(22)12-20)23-17-4-2-1-3-5-17/h1-7,10,15-16H,8-9,11-12H2
InChIKeyABNLWGWTYXDQCF-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.15
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1-chloro-4-phenoxybenzene
CID 23313954
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
chlorobenzene;phenoxybenzene
CID 66911253
1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene
CID 91092835
oxophosphanium;phenoxybenzene
CID 161329594
1-bromo-4-phenoxy-2-(phenoxymethyl)benzene
CID 139707476
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid
CID 15125729
1-chloro-3-(3-phenoxyanilino)propan-2-ol
CID 168636658

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene?
The IUPAC name of 1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene (CID 170552338) is 1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene.
What is the SMILES notation for 1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene?
The canonical SMILES for 1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene is ClCC(Cl)Cc1ccc(Oc2ccccc2)cc1CC(Cl)CCl.
What is the InChIKey of 1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene?
The InChIKey is ABNLWGWTYXDQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl4O/c19-11-15(21)8-13-6-7-18(10-14(13)9-16(22)12-20)23-17-4-2-1-3-5-17/h1-7,10,15-16H,8-9,11-12H2.
What are the key properties of 1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene?
1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene has a molecular weight of 392.15 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene is sourced from PubChem (CID 170552338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).