[3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene

C18H20Cl2O — CID 141203341

IUPAC[3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene
SMILESClCC(Cc1ccccc1)OC(CCl)Cc1ccccc1
InChIInChI=1S/C18H20Cl2O/c19-13-17(11-15-7-3-1-4-8-15)21-18(14-20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyHDOBAVLROBUOEO-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.70
Rot. Bonds8

About [3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene

[3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene (PubChem CID 141203341) has the molecular formula C18H20Cl2O and a molecular weight of 323.26 g/mol. Its IUPAC name is [3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene.

Molecular Properties

Compound Name[3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene
PubChem CID141203341
Molecular FormulaC18H20Cl2O
Molecular Weight323.26 g/mol
Exact Mass322.09
IUPAC Name[3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene
SMILESClCC(Cc1ccccc1)OC(CCl)Cc1ccccc1
InChIInChI=1S/C18H20Cl2O/c19-13-17(11-15-7-3-1-4-8-15)21-18(14-20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyHDOBAVLROBUOEO-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.70
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

1,3-dichloropropan-2-yloxymethylbenzene
CID 5155009
[(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene
CID 98043941
1,3-diphenylpropan-2-yloxybenzene
CID 54221058
3-phenyl-2-propan-2-yloxypropan-1-ol
CID 174505154
3-chloro-2-phenylmethoxypropan-1-ol
CID 13356685
1,3-diphenylpropan-2-yl formate
CID 122547977
chloromethylbenzene;ruthenium
CID 161305198
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene
CID 130301426
[2-(chloromethyl)-4-methoxybutyl]benzene
CID 66034058
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene?
The IUPAC name of [3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene (CID 141203341) is [3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene.
What is the SMILES notation for [3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene?
The canonical SMILES for [3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene is ClCC(Cc1ccccc1)OC(CCl)Cc1ccccc1.
What is the InChIKey of [3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene?
The InChIKey is HDOBAVLROBUOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O/c19-13-17(11-15-7-3-1-4-8-15)21-18(14-20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of [3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene?
[3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene has a molecular weight of 323.26 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene is sourced from PubChem (CID 141203341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).