5-prop-2-enoxynaphthalene-1,4-diol

C13H12O3 — CID 11148628

IUPAC5-prop-2-enoxynaphthalene-1,4-diol
SMILESC=CCOc1cccc2c(O)ccc(O)c12
InChIInChI=1S/C13H12O3/c1-2-8-16-12-5-3-4-9-10(14)6-7-11(15)13(9)12/h2-7,14-15H,1,8H2
InChIKeyNMQLZJLIWNFDOX-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.82
Rot. Bonds3

About 5-prop-2-enoxynaphthalene-1,4-diol

5-prop-2-enoxynaphthalene-1,4-diol (PubChem CID 11148628) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-prop-2-enoxynaphthalene-1,4-diol.

Molecular Properties

Compound Name5-prop-2-enoxynaphthalene-1,4-diol
PubChem CID11148628
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name5-prop-2-enoxynaphthalene-1,4-diol
SMILESC=CCOc1cccc2c(O)ccc(O)c12
InChIInChI=1S/C13H12O3/c1-2-8-16-12-5-3-4-9-10(14)6-7-11(15)13(9)12/h2-7,14-15H,1,8H2
InChIKeyNMQLZJLIWNFDOX-UHFFFAOYSA-N
XLogP2.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate
CID 11427072
2-bromo-6-prop-2-enoxyphenol
CID 170987480
1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
CID 160621443
(2-prop-2-enoxyphenyl)methanol
CID 11137475
5-ethenylnaphthalene-1,4-diol;bis(yttrium)
CID 59524586
1-chloro-4-prop-2-enoxynaphthalen-2-ol
CID 12672908
4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol
CID 54520088
4-iodo-2-prop-2-enoxyphenol
CID 121430000
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
oxirane;1-prop-2-enoxynaphthalene
CID 174790954
[3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone
CID 175988211
2,3-bis(prop-2-enoxy)benzonitrile
CID 118571042

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enoxynaphthalene-1,4-diol?
The IUPAC name of 5-prop-2-enoxynaphthalene-1,4-diol (CID 11148628) is 5-prop-2-enoxynaphthalene-1,4-diol.
What is the SMILES notation for 5-prop-2-enoxynaphthalene-1,4-diol?
The canonical SMILES for 5-prop-2-enoxynaphthalene-1,4-diol is C=CCOc1cccc2c(O)ccc(O)c12.
What is the InChIKey of 5-prop-2-enoxynaphthalene-1,4-diol?
The InChIKey is NMQLZJLIWNFDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-2-8-16-12-5-3-4-9-10(14)6-7-11(15)13(9)12/h2-7,14-15H,1,8H2.
What are the key properties of 5-prop-2-enoxynaphthalene-1,4-diol?
5-prop-2-enoxynaphthalene-1,4-diol has a molecular weight of 216.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxynaphthalene-1,4-diol is sourced from PubChem (CID 11148628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).