1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene

C16H14Cl2O2 — CID 67558875

IUPAC1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene
SMILESClC(Cl)/C=C\Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14Cl2O2/c17-16(18)10-11-19-14-6-8-15(9-7-14)20-12-13-4-2-1-3-5-13/h1-11,16H,12H2/b11-10-
InChIKeyWPXLOFDXMRHYEW-KHPPLWFESA-N
MW309.19 g/mol
LogP4.96
Rot. Bonds6

About 1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene

1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene (PubChem CID 67558875) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene
PubChem CID67558875
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene
SMILESClC(Cl)/C=C\Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14Cl2O2/c17-16(18)10-11-19-14-6-8-15(9-7-14)20-12-13-4-2-1-3-5-13/h1-11,16H,12H2/b11-10-
InChIKeyWPXLOFDXMRHYEW-KHPPLWFESA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
dichloromethyl-(4-phenylmethoxyphenyl)silane
CID 123524491
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
4-phenylmethoxyaniline
CID 159966727
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
2-(4-phenylmethoxyphenyl)ethenone
CID 175186077
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
CID 56614966
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene
CID 12765877

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene (CID 67558875) is 1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene is ClC(Cl)/C=C\Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene?
The InChIKey is WPXLOFDXMRHYEW-KHPPLWFESA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-16(18)10-11-19-14-6-8-15(9-7-14)20-12-13-4-2-1-3-5-13/h1-11,16H,12H2/b11-10-.
What are the key properties of 1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene?
1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene has a molecular weight of 309.19 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3,3-dichloroprop-1-enoxy]-4-phenylmethoxybenzene is sourced from PubChem (CID 67558875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).