(Z)-2-chlorobut-2-en-1-ol

C4H7ClO — CID 15287200

IUPAC(Z)-2-chlorobut-2-en-1-ol
SMILESC/C=C(\Cl)CO
InChIInChI=1S/C4H7ClO/c1-2-4(5)3-6/h2,6H,3H2,1H3/b4-2-
InChIKeyPGWIETAKNLNHNW-RQOWECAXSA-N
MW106.55 g/mol
LogP1.12
Rot. Bonds1

About (Z)-2-chlorobut-2-en-1-ol

(Z)-2-chlorobut-2-en-1-ol (PubChem CID 15287200) has the molecular formula C4H7ClO and a molecular weight of 106.55 g/mol. Its IUPAC name is (Z)-2-chlorobut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-chlorobut-2-en-1-ol
PubChem CID15287200
Molecular FormulaC4H7ClO
Molecular Weight106.55 g/mol
Exact Mass106.02
IUPAC Name(Z)-2-chlorobut-2-en-1-ol
SMILESC/C=C(\Cl)CO
InChIInChI=1S/C4H7ClO/c1-2-4(5)3-6/h2,6H,3H2,1H3/b4-2-
InChIKeyPGWIETAKNLNHNW-RQOWECAXSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.55
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-chlorobut-2-en-1-ol?
The IUPAC name of (Z)-2-chlorobut-2-en-1-ol (CID 15287200) is (Z)-2-chlorobut-2-en-1-ol.
What is the SMILES notation for (Z)-2-chlorobut-2-en-1-ol?
The canonical SMILES for (Z)-2-chlorobut-2-en-1-ol is C/C=C(\Cl)CO.
What is the InChIKey of (Z)-2-chlorobut-2-en-1-ol?
The InChIKey is PGWIETAKNLNHNW-RQOWECAXSA-N. The full InChI is InChI=1S/C4H7ClO/c1-2-4(5)3-6/h2,6H,3H2,1H3/b4-2-.
What are the key properties of (Z)-2-chlorobut-2-en-1-ol?
(Z)-2-chlorobut-2-en-1-ol has a molecular weight of 106.55 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chlorobut-2-en-1-ol is sourced from PubChem (CID 15287200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).