5-prop-2-enylnaphthalen-1-ol

C13H12O — CID 139534699

IUPAC5-prop-2-enylnaphthalen-1-ol
SMILESC=CCc1cccc2c(O)cccc12
InChIInChI=1S/C13H12O/c1-2-5-10-6-3-8-12-11(10)7-4-9-13(12)14/h2-4,6-9,14H,1,5H2
InChIKeyHDLNVHYVGSQPGZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.27
Rot. Bonds2

About 5-prop-2-enylnaphthalen-1-ol

5-prop-2-enylnaphthalen-1-ol (PubChem CID 139534699) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-prop-2-enylnaphthalen-1-ol.

Molecular Properties

Compound Name5-prop-2-enylnaphthalen-1-ol
PubChem CID139534699
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name5-prop-2-enylnaphthalen-1-ol
SMILESC=CCc1cccc2c(O)cccc12
InChIInChI=1S/C13H12O/c1-2-5-10-6-3-8-12-11(10)7-4-9-13(12)14/h2-4,6-9,14H,1,5H2
InChIKeyHDLNVHYVGSQPGZ-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-ol;2-prop-2-enylphenol
CID 174719033
(4-prop-2-enylnaphthalen-1-yl)methanol
CID 177415182
acetic acid;2-methoxy-3-prop-2-enylphenol
CID 174703857
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952
boric acid;2-prop-2-enylphenol
CID 70457137
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid
CID 70221186
2-prop-2-enoxy-1,5-bis(prop-2-enyl)naphthalene
CID 174804005
3-prop-2-enyl-2-propylphenol
CID 139705767
(2-fluoro-3-prop-2-enylphenyl)methanol
CID 67384125
formaldehyde;naphthalene-1,5-diol
CID 21419428

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylnaphthalen-1-ol?
The IUPAC name of 5-prop-2-enylnaphthalen-1-ol (CID 139534699) is 5-prop-2-enylnaphthalen-1-ol.
What is the SMILES notation for 5-prop-2-enylnaphthalen-1-ol?
The canonical SMILES for 5-prop-2-enylnaphthalen-1-ol is C=CCc1cccc2c(O)cccc12.
What is the InChIKey of 5-prop-2-enylnaphthalen-1-ol?
The InChIKey is HDLNVHYVGSQPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-2-5-10-6-3-8-12-11(10)7-4-9-13(12)14/h2-4,6-9,14H,1,5H2.
What are the key properties of 5-prop-2-enylnaphthalen-1-ol?
5-prop-2-enylnaphthalen-1-ol has a molecular weight of 184.24 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylnaphthalen-1-ol is sourced from PubChem (CID 139534699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).