2-(4-chlorophenyl)prop-2-en-1-ol

C9H9ClO — CID 10654689

IUPAC2-(4-chlorophenyl)prop-2-en-1-ol
SMILESC=C(CO)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,11H,1,6H2
InChIKeyYSVPZZMRQLNULN-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.35
Rot. Bonds2

About 2-(4-chlorophenyl)prop-2-en-1-ol

2-(4-chlorophenyl)prop-2-en-1-ol (PubChem CID 10654689) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)prop-2-en-1-ol
PubChem CID10654689
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name2-(4-chlorophenyl)prop-2-en-1-ol
SMILESC=C(CO)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,11H,1,6H2
InChIKeyYSVPZZMRQLNULN-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)prop-2-en-1-ol?
The IUPAC name of 2-(4-chlorophenyl)prop-2-en-1-ol (CID 10654689) is 2-(4-chlorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)prop-2-en-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)prop-2-en-1-ol is C=C(CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)prop-2-en-1-ol?
The InChIKey is YSVPZZMRQLNULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,11H,1,6H2.
What are the key properties of 2-(4-chlorophenyl)prop-2-en-1-ol?
2-(4-chlorophenyl)prop-2-en-1-ol has a molecular weight of 168.62 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 10654689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).