1-chloro-4-prop-2-enoxynaphthalen-2-ol

C13H11ClO2 — CID 12672908

IUPAC1-chloro-4-prop-2-enoxynaphthalen-2-ol
SMILESC=CCOc1cc(O)c(Cl)c2ccccc12
InChIInChI=1S/C13H11ClO2/c1-2-7-16-12-8-11(15)13(14)10-6-4-3-5-9(10)12/h2-6,8,15H,1,7H2
InChIKeyFWCGXXPXFJWJEN-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.76
Rot. Bonds3

About 1-chloro-4-prop-2-enoxynaphthalen-2-ol

1-chloro-4-prop-2-enoxynaphthalen-2-ol (PubChem CID 12672908) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 1-chloro-4-prop-2-enoxynaphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-4-prop-2-enoxynaphthalen-2-ol
PubChem CID12672908
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name1-chloro-4-prop-2-enoxynaphthalen-2-ol
SMILESC=CCOc1cc(O)c(Cl)c2ccccc12
InChIInChI=1S/C13H11ClO2/c1-2-7-16-12-8-11(15)13(14)10-6-4-3-5-9(10)12/h2-6,8,15H,1,7H2
InChIKeyFWCGXXPXFJWJEN-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-prop-2-enoxynaphthalene-1,4-diol
CID 11148628
1,4-dichloronaphthalen-2-ol
CID 12578005
1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
CID 160621443
(2-prop-2-enoxyphenyl)methanol
CID 11137475
2-diphenylphosphoryl-1,4-bis(prop-2-enoxy)naphthalene
CID 145288694
4-iodo-2-prop-2-enoxyphenol
CID 121430000
[2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol
CID 101326378
2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol
CID 23337701
1-prop-1-enoxy-2-prop-2-enoxybenzene
CID 57352619
1-chloro-3-prop-2-enoxyisoquinoline
CID 90117973
4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol
CID 54520088
4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene
CID 20539883

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-prop-2-enoxynaphthalen-2-ol?
The IUPAC name of 1-chloro-4-prop-2-enoxynaphthalen-2-ol (CID 12672908) is 1-chloro-4-prop-2-enoxynaphthalen-2-ol.
What is the SMILES notation for 1-chloro-4-prop-2-enoxynaphthalen-2-ol?
The canonical SMILES for 1-chloro-4-prop-2-enoxynaphthalen-2-ol is C=CCOc1cc(O)c(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-prop-2-enoxynaphthalen-2-ol?
The InChIKey is FWCGXXPXFJWJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c1-2-7-16-12-8-11(15)13(14)10-6-4-3-5-9(10)12/h2-6,8,15H,1,7H2.
What are the key properties of 1-chloro-4-prop-2-enoxynaphthalen-2-ol?
1-chloro-4-prop-2-enoxynaphthalen-2-ol has a molecular weight of 234.68 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-prop-2-enoxynaphthalen-2-ol is sourced from PubChem (CID 12672908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).