1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene

C15H14Cl2O — CID 39380952

IUPAC1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene
SMILESClCC[C@@H](Oc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2O/c16-11-10-15(12-6-8-13(17)9-7-12)18-14-4-2-1-3-5-14/h1-9,15H,10-11H2/t15-/m1/s1
InChIKeyFPKZNLHGYSFCHR-OAHLLOKOSA-N
MW281.18 g/mol
LogP5.09
Rot. Bonds5

About 1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene

1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene (PubChem CID 39380952) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene
PubChem CID39380952
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene
SMILESClCC[C@@H](Oc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2O/c16-11-10-15(12-6-8-13(17)9-7-12)18-14-4-2-1-3-5-14/h1-9,15H,10-11H2/t15-/m1/s1
InChIKeyFPKZNLHGYSFCHR-OAHLLOKOSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.18
LogP ≤ 55.09
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

6-Chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran
CID 126331
2-(3'-Chlorobenzyloxy)phenylboronic acid
CID 16217683
3-Phenoxybenzyl chloride
CID 93291
1-(4-Chlorobutoxy)-2-methylbenzene
CID 96477
Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
4-Benzyloxybenzyl chloride
CID 70042
1-Chloro-4-((4-iodobenzyl)oxy)benzene
CID 65489731
Benzyl o-chlorophenyl ether
CID 6421527
1-(Chloromethyl)-4-[4-(chloromethyl)phenoxy]benzene
CID 119907
2-Phenylethyl phenyl ether
CID 142465
Chloro(4-methoxyphenyl)phenylmethane
CID 522258
1-(Benzyloxy)-2-(chloromethyl)benzene
CID 563507

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene?
The IUPAC name of 1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene (CID 39380952) is 1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene.
What is the SMILES notation for 1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene?
The canonical SMILES for 1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene is ClCC[C@@H](Oc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene?
The InChIKey is FPKZNLHGYSFCHR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14Cl2O/c16-11-10-15(12-6-8-13(17)9-7-12)18-14-4-2-1-3-5-14/h1-9,15H,10-11H2/t15-/m1/s1.
What are the key properties of 1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene?
1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene has a molecular weight of 281.18 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene is sourced from PubChem (CID 39380952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).