3-chloroprop-1-ene;naphthalen-1-ol

C13H13ClO — CID 174471084

IUPAC3-chloroprop-1-ene;naphthalen-1-ol
SMILESC=CCCl.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C3H5Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-3-4/h1-7,11H;2H,1,3H2
InChIKeyWNSPTODQIXAJTN-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.96
Rot. Bonds1

About 3-chloroprop-1-ene;naphthalen-1-ol

3-chloroprop-1-ene;naphthalen-1-ol (PubChem CID 174471084) has the molecular formula C13H13ClO and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-chloroprop-1-ene;naphthalen-1-ol.

Molecular Properties

Compound Name3-chloroprop-1-ene;naphthalen-1-ol
PubChem CID174471084
Molecular FormulaC13H13ClO
Molecular Weight220.70 g/mol
Exact Mass220.07
IUPAC Name3-chloroprop-1-ene;naphthalen-1-ol
SMILESC=CCCl.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C3H5Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-3-4/h1-7,11H;2H,1,3H2
InChIKeyWNSPTODQIXAJTN-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloroprop-1-ene;naphthalen-1-ol?
The IUPAC name of 3-chloroprop-1-ene;naphthalen-1-ol (CID 174471084) is 3-chloroprop-1-ene;naphthalen-1-ol.
What is the SMILES notation for 3-chloroprop-1-ene;naphthalen-1-ol?
The canonical SMILES for 3-chloroprop-1-ene;naphthalen-1-ol is C=CCCl.Oc1cccc2ccccc12.
What is the InChIKey of 3-chloroprop-1-ene;naphthalen-1-ol?
The InChIKey is WNSPTODQIXAJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C3H5Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-3-4/h1-7,11H;2H,1,3H2.
What are the key properties of 3-chloroprop-1-ene;naphthalen-1-ol?
3-chloroprop-1-ene;naphthalen-1-ol has a molecular weight of 220.70 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroprop-1-ene;naphthalen-1-ol is sourced from PubChem (CID 174471084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).