1-chloro-4-(3-chloroprop-2-enoxy)benzene

C9H8Cl2O — CID 4518340

IUPAC1-chloro-4-(3-chloroprop-2-enoxy)benzene
SMILESClC=CCOc1ccc(Cl)cc1
InChIInChI=1S/C9H8Cl2O/c10-6-1-7-12-9-4-2-8(11)3-5-9/h1-6H,7H2
InChIKeyHCPXCBUMXMHOMQ-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.47
Rot. Bonds3

About 1-chloro-4-(3-chloroprop-2-enoxy)benzene

1-chloro-4-(3-chloroprop-2-enoxy)benzene (PubChem CID 4518340) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 1-chloro-4-(3-chloroprop-2-enoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-(3-chloroprop-2-enoxy)benzene
PubChem CID4518340
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name1-chloro-4-(3-chloroprop-2-enoxy)benzene
SMILESClC=CCOc1ccc(Cl)cc1
InChIInChI=1S/C9H8Cl2O/c10-6-1-7-12-9-4-2-8(11)3-5-9/h1-6H,7H2
InChIKeyHCPXCBUMXMHOMQ-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chlorophenoxy)but-2-en-1-amine
CID 77110764
4-[(E)-4-(4-chlorophenoxy)but-2-enoxy]aniline
CID 20519139
1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene
CID 82706845
[(E)-3-(4-chlorophenoxy)prop-1-enyl]-trimethylsilane
CID 177477896
4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
CID 81435717
3,5-dichloro-4-[4-(4-chlorophenoxy)but-2-enoxy]phenol
CID 54086688
(NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine
CID 24704869
[5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol
CID 79800185
4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid
CID 60676432
4-[2-[4-(3-chloroprop-2-enoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
CID 139671950
(1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine
CID 107718193
1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine
CID 79799523

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-chloroprop-2-enoxy)benzene?
The IUPAC name of 1-chloro-4-(3-chloroprop-2-enoxy)benzene (CID 4518340) is 1-chloro-4-(3-chloroprop-2-enoxy)benzene.
What is the SMILES notation for 1-chloro-4-(3-chloroprop-2-enoxy)benzene?
The canonical SMILES for 1-chloro-4-(3-chloroprop-2-enoxy)benzene is ClC=CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(3-chloroprop-2-enoxy)benzene?
The InChIKey is HCPXCBUMXMHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c10-6-1-7-12-9-4-2-8(11)3-5-9/h1-6H,7H2.
What are the key properties of 1-chloro-4-(3-chloroprop-2-enoxy)benzene?
1-chloro-4-(3-chloroprop-2-enoxy)benzene has a molecular weight of 203.07 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-chloroprop-2-enoxy)benzene is sourced from PubChem (CID 4518340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).