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

C10H8Cl4O2 — CID 18725396

IUPAC1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
SMILESCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C10H8Cl4O2/c1-15-10-7(11)4-6(5-8(10)12)16-3-2-9(13)14/h2,4-5H,3H2,1H3
InChIKeyDCQXPQSYSAXZFF-UHFFFAOYSA-N
MW301.98 g/mol
LogP4.70
Rot. Bonds4

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

1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene (PubChem CID 18725396) has the molecular formula C10H8Cl4O2 and a molecular weight of 301.98 g/mol. Its IUPAC name is 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene.

Molecular Properties

Compound Name1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
PubChem CID18725396
Molecular FormulaC10H8Cl4O2
Molecular Weight301.98 g/mol
Exact Mass299.93
IUPAC Name1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
SMILESCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C10H8Cl4O2/c1-15-10-7(11)4-6(5-8(10)12)16-3-2-9(13)14/h2,4-5H,3H2,1H3
InChIKeyDCQXPQSYSAXZFF-UHFFFAOYSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.98
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol
CID 11346738
2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole
CID 141105448
5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentan-1-amine
CID 22006786
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
methyl N-[4-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]butyl]carbamate
CID 19356488
O-[4-[2-chloro-4-(3,3-dichloroprop-2-enoxy)-6-methylphenoxy]butyl]hydroxylamine
CID 18429754
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-(3-phenoxypropoxy)benzene
CID 54077529
1,3-dichloro-2-[3-(4-chlorophenoxy)propoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54295507
1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene
CID 18725418
1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54133005
N-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]propan-2-imine
CID 18429919
4-[1-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]ethylideneamino]oxybutanoic acid
CID 76644495

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene?
The IUPAC name of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene (CID 18725396) is 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene.
What is the SMILES notation for 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene?
The canonical SMILES for 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene is COc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl.
What is the InChIKey of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene?
The InChIKey is DCQXPQSYSAXZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl4O2/c1-15-10-7(11)4-6(5-8(10)12)16-3-2-9(13)14/h2,4-5H,3H2,1H3.
What are the key properties of 1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene?
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene has a molecular weight of 301.98 g/mol, XLogP of 4.70, 4 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-methoxybenzene is sourced from PubChem (CID 18725396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).