3-prop-2-enyl-2-propylphenol

C12H16O — CID 139705767

IUPAC3-prop-2-enyl-2-propylphenol
SMILESC=CCc1cccc(O)c1CCC
InChIInChI=1S/C12H16O/c1-3-6-10-8-5-9-12(13)11(10)7-4-2/h3,5,8-9,13H,1,4,6-7H2,2H3
InChIKeyBKNUFTSTJNKSGA-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.07
Rot. Bonds4

About 3-prop-2-enyl-2-propylphenol

3-prop-2-enyl-2-propylphenol (PubChem CID 139705767) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-prop-2-enyl-2-propylphenol.

Molecular Properties

Compound Name3-prop-2-enyl-2-propylphenol
PubChem CID139705767
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-prop-2-enyl-2-propylphenol
SMILESC=CCc1cccc(O)c1CCC
InChIInChI=1S/C12H16O/c1-3-6-10-8-5-9-12(13)11(10)7-4-2/h3,5,8-9,13H,1,4,6-7H2,2H3
InChIKeyBKNUFTSTJNKSGA-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.07
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

2-prop-2-enyl-3-propylphenol
CID 19877308
1-prop-2-enyl-2-propylbenzene
CID 12585186
2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol
CID 70557455
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760
3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde
CID 174409044
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
1-butyl-2-prop-2-enylbenzene
CID 18786435
5-prop-2-enylnaphthalen-1-ol
CID 139534699
2-methyl-3-prop-2-enyl-4-propylphenol
CID 175489443
1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene
CID 70536886
3-chloro-2-propylphenol
CID 15747295
boric acid;2-prop-2-enylphenol
CID 70457137

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-2-propylphenol?
The IUPAC name of 3-prop-2-enyl-2-propylphenol (CID 139705767) is 3-prop-2-enyl-2-propylphenol.
What is the SMILES notation for 3-prop-2-enyl-2-propylphenol?
The canonical SMILES for 3-prop-2-enyl-2-propylphenol is C=CCc1cccc(O)c1CCC.
What is the InChIKey of 3-prop-2-enyl-2-propylphenol?
The InChIKey is BKNUFTSTJNKSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-6-10-8-5-9-12(13)11(10)7-4-2/h3,5,8-9,13H,1,4,6-7H2,2H3.
What are the key properties of 3-prop-2-enyl-2-propylphenol?
3-prop-2-enyl-2-propylphenol has a molecular weight of 176.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-2-propylphenol is sourced from PubChem (CID 139705767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).