1,2-dichloro-4-phenoxybenzene;propanal

C15H14Cl2O2 — CID 174651599

IUPAC1,2-dichloro-4-phenoxybenzene;propanal
SMILESCCC=O.Clc1ccc(Oc2ccccc2)cc1Cl
InChIInChI=1S/C12H8Cl2O.C3H6O/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9;1-2-3-4/h1-8H;3H,2H2,1H3
InChIKeyFJTNKONRUQUVIV-UHFFFAOYSA-N
MW297.18 g/mol
LogP5.38
Rot. Bonds3

About 1,2-dichloro-4-phenoxybenzene;propanal

1,2-dichloro-4-phenoxybenzene;propanal (PubChem CID 174651599) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 1,2-dichloro-4-phenoxybenzene;propanal.

Molecular Properties

Compound Name1,2-dichloro-4-phenoxybenzene;propanal
PubChem CID174651599
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name1,2-dichloro-4-phenoxybenzene;propanal
SMILESCCC=O.Clc1ccc(Oc2ccccc2)cc1Cl
InChIInChI=1S/C12H8Cl2O.C3H6O/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9;1-2-3-4/h1-8H;3H,2H2,1H3
InChIKeyFJTNKONRUQUVIV-UHFFFAOYSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.18
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-phenoxybenzaldehyde
CID 131420183
2-chloro-4-(3,4-dichlorophenoxy)benzaldehyde
CID 114064183
1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
CID 63568031
2-(bromomethyl)-1-chloro-4-phenoxybenzene
CID 23313954
1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene
CID 129390999
butoxybenzene;propanal
CID 174367271
2-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
2-(aminomethyl)phenol;3-(3,4-dichlorophenoxy)benzaldehyde
CID 23291705
ethyl formate;phenoxybenzene
CID 174262860
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
ethane;phenoxybenzene;propane
CID 90923491

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-phenoxybenzene;propanal?
The IUPAC name of 1,2-dichloro-4-phenoxybenzene;propanal (CID 174651599) is 1,2-dichloro-4-phenoxybenzene;propanal.
What is the SMILES notation for 1,2-dichloro-4-phenoxybenzene;propanal?
The canonical SMILES for 1,2-dichloro-4-phenoxybenzene;propanal is CCC=O.Clc1ccc(Oc2ccccc2)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-phenoxybenzene;propanal?
The InChIKey is FJTNKONRUQUVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O.C3H6O/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9;1-2-3-4/h1-8H;3H,2H2,1H3.
What are the key properties of 1,2-dichloro-4-phenoxybenzene;propanal?
1,2-dichloro-4-phenoxybenzene;propanal has a molecular weight of 297.18 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-phenoxybenzene;propanal is sourced from PubChem (CID 174651599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).