3-[(E)-2-chloroethenyl]phenol

C8H7ClO — CID 131239528

IUPAC3-[(E)-2-chloroethenyl]phenol
SMILESOc1cccc(/C=C/Cl)c1
InChIInChI=1S/C8H7ClO/c9-5-4-7-2-1-3-8(10)6-7/h1-6,10H/b5-4+
InChIKeyLBFDPZKWCOOWCE-SNAWJCMRSA-N
MW154.60 g/mol
LogP2.60
Rot. Bonds1

About 3-[(E)-2-chloroethenyl]phenol

3-[(E)-2-chloroethenyl]phenol (PubChem CID 131239528) has the molecular formula C8H7ClO and a molecular weight of 154.60 g/mol. Its IUPAC name is 3-[(E)-2-chloroethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-chloroethenyl]phenol
PubChem CID131239528
Molecular FormulaC8H7ClO
Molecular Weight154.60 g/mol
Exact Mass154.02
IUPAC Name3-[(E)-2-chloroethenyl]phenol
SMILESOc1cccc(/C=C/Cl)c1
InChIInChI=1S/C8H7ClO/c9-5-4-7-2-1-3-8(10)6-7/h1-6,10H/b5-4+
InChIKeyLBFDPZKWCOOWCE-SNAWJCMRSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-chloroethenyl]phenol?
The IUPAC name of 3-[(E)-2-chloroethenyl]phenol (CID 131239528) is 3-[(E)-2-chloroethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-chloroethenyl]phenol?
The canonical SMILES for 3-[(E)-2-chloroethenyl]phenol is Oc1cccc(/C=C/Cl)c1.
What is the InChIKey of 3-[(E)-2-chloroethenyl]phenol?
The InChIKey is LBFDPZKWCOOWCE-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H7ClO/c9-5-4-7-2-1-3-8(10)6-7/h1-6,10H/b5-4+.
What are the key properties of 3-[(E)-2-chloroethenyl]phenol?
3-[(E)-2-chloroethenyl]phenol has a molecular weight of 154.60 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-chloroethenyl]phenol is sourced from PubChem (CID 131239528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).