(E)-4-(4-chlorophenyl)pent-3-en-1-ol

C11H13ClO — CID 11995606

IUPAC(E)-4-(4-chlorophenyl)pent-3-en-1-ol
SMILESC/C(=C\CCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO/c1-9(3-2-8-13)10-4-6-11(12)7-5-10/h3-7,13H,2,8H2,1H3/b9-3+
InChIKeyLEMAERAHKSBNOE-YCRREMRBSA-N
MW196.68 g/mol
LogP3.13
Rot. Bonds3

About (E)-4-(4-chlorophenyl)pent-3-en-1-ol

(E)-4-(4-chlorophenyl)pent-3-en-1-ol (PubChem CID 11995606) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is (E)-4-(4-chlorophenyl)pent-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(4-chlorophenyl)pent-3-en-1-ol
PubChem CID11995606
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name(E)-4-(4-chlorophenyl)pent-3-en-1-ol
SMILESC/C(=C\CCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO/c1-9(3-2-8-13)10-4-6-11(12)7-5-10/h3-7,13H,2,8H2,1H3/b9-3+
InChIKeyLEMAERAHKSBNOE-YCRREMRBSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-chlorophenyl)pent-3-en-1-ol?
The IUPAC name of (E)-4-(4-chlorophenyl)pent-3-en-1-ol (CID 11995606) is (E)-4-(4-chlorophenyl)pent-3-en-1-ol.
What is the SMILES notation for (E)-4-(4-chlorophenyl)pent-3-en-1-ol?
The canonical SMILES for (E)-4-(4-chlorophenyl)pent-3-en-1-ol is C/C(=C\CCO)c1ccc(Cl)cc1.
What is the InChIKey of (E)-4-(4-chlorophenyl)pent-3-en-1-ol?
The InChIKey is LEMAERAHKSBNOE-YCRREMRBSA-N. The full InChI is InChI=1S/C11H13ClO/c1-9(3-2-8-13)10-4-6-11(12)7-5-10/h3-7,13H,2,8H2,1H3/b9-3+.
What are the key properties of (E)-4-(4-chlorophenyl)pent-3-en-1-ol?
(E)-4-(4-chlorophenyl)pent-3-en-1-ol has a molecular weight of 196.68 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-chlorophenyl)pent-3-en-1-ol is sourced from PubChem (CID 11995606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).