1-[(E)-2-chloroethenyl]-4-methoxybenzene

C9H9ClO — CID 6368521

IUPAC1-[(E)-2-chloroethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C/Cl)cc1
InChIInChI=1S/C9H9ClO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-7H,1H3/b7-6+
InChIKeyXURGFZNIMRDEBA-VOTSOKGWSA-N
MW168.62 g/mol
LogP2.90
Rot. Bonds2

About 1-[(E)-2-chloroethenyl]-4-methoxybenzene

1-[(E)-2-chloroethenyl]-4-methoxybenzene (PubChem CID 6368521) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 1-[(E)-2-chloroethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-chloroethenyl]-4-methoxybenzene
PubChem CID6368521
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name1-[(E)-2-chloroethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C/Cl)cc1
InChIInChI=1S/C9H9ClO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-7H,1H3/b7-6+
InChIKeyXURGFZNIMRDEBA-VOTSOKGWSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloroethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-2-chloroethenyl]-4-methoxybenzene (CID 6368521) is 1-[(E)-2-chloroethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-2-chloroethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-2-chloroethenyl]-4-methoxybenzene is COc1ccc(/C=C/Cl)cc1.
What is the InChIKey of 1-[(E)-2-chloroethenyl]-4-methoxybenzene?
The InChIKey is XURGFZNIMRDEBA-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H9ClO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-7H,1H3/b7-6+.
What are the key properties of 1-[(E)-2-chloroethenyl]-4-methoxybenzene?
1-[(E)-2-chloroethenyl]-4-methoxybenzene has a molecular weight of 168.62 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloroethenyl]-4-methoxybenzene is sourced from PubChem (CID 6368521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).