1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene

C16H12Cl4O2 — CID 54079745

IUPAC1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
SMILESClC(Cl)=CCOc1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H12Cl4O2/c17-13-8-12(21-7-6-15(19)20)9-14(18)16(13)22-10-11-4-2-1-3-5-11/h1-6,8-9H,7,10H2
InChIKeyMMGAUVFONHXCTC-UHFFFAOYSA-N
MW378.08 g/mol
LogP6.27
Rot. Bonds6

About 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene

1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene (PubChem CID 54079745) has the molecular formula C16H12Cl4O2 and a molecular weight of 378.08 g/mol. Its IUPAC name is 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
PubChem CID54079745
Molecular FormulaC16H12Cl4O2
Molecular Weight378.08 g/mol
Exact Mass375.96
IUPAC Name1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
SMILESClC(Cl)=CCOc1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H12Cl4O2/c17-13-8-12(21-7-6-15(19)20)9-14(18)16(13)22-10-11-4-2-1-3-5-11/h1-6,8-9H,7,10H2
InChIKeyMMGAUVFONHXCTC-UHFFFAOYSA-N
XLogP6.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.08
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine
CID 18430188
1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54133005
4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]benzaldehyde
CID 18429639
1,3-dichloro-2-[[3-(3,4-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54496675
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-(3-phenoxypropoxy)benzene
CID 54077529
1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 23203507
(E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine
CID 18429789
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
CID 18725396
1,3-dichloro-2-[3-(4-chlorophenoxy)propoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54295507
2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol
CID 11346738
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
N-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]-1-phenylethenamine
CID 57049706

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene?
The IUPAC name of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene (CID 54079745) is 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene.
What is the SMILES notation for 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene?
The canonical SMILES for 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene is ClC(Cl)=CCOc1cc(Cl)c(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene?
The InChIKey is MMGAUVFONHXCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl4O2/c17-13-8-12(21-7-6-15(19)20)9-14(18)16(13)22-10-11-4-2-1-3-5-11/h1-6,8-9H,7,10H2.
What are the key properties of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene?
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene has a molecular weight of 378.08 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene is sourced from PubChem (CID 54079745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).