(2-chloro-4-ethenylphenyl)methanol

C9H9ClO — CID 54017504

IUPAC(2-chloro-4-ethenylphenyl)methanol
SMILESC=Cc1ccc(CO)c(Cl)c1
InChIInChI=1S/C9H9ClO/c1-2-7-3-4-8(6-11)9(10)5-7/h2-5,11H,1,6H2
InChIKeyKWPLBPTVFJAQAW-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.48
Rot. Bonds2

About (2-chloro-4-ethenylphenyl)methanol

(2-chloro-4-ethenylphenyl)methanol (PubChem CID 54017504) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is (2-chloro-4-ethenylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-ethenylphenyl)methanol
PubChem CID54017504
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name(2-chloro-4-ethenylphenyl)methanol
SMILESC=Cc1ccc(CO)c(Cl)c1
InChIInChI=1S/C9H9ClO/c1-2-7-3-4-8(6-11)9(10)5-7/h2-5,11H,1,6H2
InChIKeyKWPLBPTVFJAQAW-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-ethenylphenyl)methanol?
The IUPAC name of (2-chloro-4-ethenylphenyl)methanol (CID 54017504) is (2-chloro-4-ethenylphenyl)methanol.
What is the SMILES notation for (2-chloro-4-ethenylphenyl)methanol?
The canonical SMILES for (2-chloro-4-ethenylphenyl)methanol is C=Cc1ccc(CO)c(Cl)c1.
What is the InChIKey of (2-chloro-4-ethenylphenyl)methanol?
The InChIKey is KWPLBPTVFJAQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c1-2-7-3-4-8(6-11)9(10)5-7/h2-5,11H,1,6H2.
What are the key properties of (2-chloro-4-ethenylphenyl)methanol?
(2-chloro-4-ethenylphenyl)methanol has a molecular weight of 168.62 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-ethenylphenyl)methanol is sourced from PubChem (CID 54017504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).