2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol

C42H54O12 — CID 160780872

IUPAC2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol
SMILESC=CCc1c(O)cc(O)c(CC=C)c1O.C=CCc1c(O)cc(O)cc1O.CCCc1c(O)cc(O)c(CCC)c1O.CCCc1c(O)cc(O)cc1O
InChIInChI=1S/C12H18O3.C12H14O3.C9H12O3.C9H10O3/c2*1-3-5-8-10(13)7-11(14)9(6-4-2)12(8)15;2*1-2-3-7-8(11)4-6(10)5-9(7)12/h7,13-15H,3-6H2,1-2H3;3-4,7,13-15H,1-2,5-6H2;4-5,10-12H,2-3H2,1H3;2,4-5,10-12H,1,3H2
InChIKeySAOCIXXRYRSJTG-UHFFFAOYSA-N
MW750.88 g/mol
LogP8.26
Rot. Bonds12

About 2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol

2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol (PubChem CID 160780872) has the molecular formula C42H54O12 and a molecular weight of 750.88 g/mol. Its IUPAC name is 2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol.

Molecular Properties

Compound Name2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol
PubChem CID160780872
Molecular FormulaC42H54O12
Molecular Weight750.88 g/mol
Exact Mass750.36
IUPAC Name2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol
SMILESC=CCc1c(O)cc(O)c(CC=C)c1O.C=CCc1c(O)cc(O)cc1O.CCCc1c(O)cc(O)c(CCC)c1O.CCCc1c(O)cc(O)cc1O
InChIInChI=1S/C12H18O3.C12H14O3.C9H12O3.C9H10O3/c2*1-3-5-8-10(13)7-11(14)9(6-4-2)12(8)15;2*1-2-3-7-8(11)4-6(10)5-9(7)12/h7,13-15H,3-6H2,1-2H3;3-4,7,13-15H,1-2,5-6H2;4-5,10-12H,2-3H2,1H3;2,4-5,10-12H,1,3H2
InChIKeySAOCIXXRYRSJTG-UHFFFAOYSA-N
XLogP8.26
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500750.88
LogP ≤ 58.26
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol with MolForge

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Related Compounds

2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol
CID 154951443
2-propylbenzene-1,3,5-triol
CID 13411724
2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol
CID 90416964
2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol
CID 11437162
2-prop-2-enyl-3-propylphenol
CID 19877308
3-prop-2-enyl-2-propylphenol
CID 139705767
5-methyl-2-propylbenzene-1,3-diol
CID 12529753
2,6-bis(prop-2-enyl)-4-propylphenol
CID 67656083
2-methyl-3-prop-2-enyl-4-propylphenol
CID 175489443
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol
CID 19877287
6-heptyl-4-hydroxy-5-prop-2-enylpyran-2-one
CID 54706184

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol?
The IUPAC name of 2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol (CID 160780872) is 2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol.
What is the SMILES notation for 2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol?
The canonical SMILES for 2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol is C=CCc1c(O)cc(O)c(CC=C)c1O.C=CCc1c(O)cc(O)cc1O.CCCc1c(O)cc(O)c(CCC)c1O.CCCc1c(O)cc(O)cc1O.
What is the InChIKey of 2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol?
The InChIKey is SAOCIXXRYRSJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3.C12H14O3.C9H12O3.C9H10O3/c2*1-3-5-8-10(13)7-11(14)9(6-4-2)12(8)15;2*1-2-3-7-8(11)4-6(10)5-9(7)12/h7,13-15H,3-6H2,1-2H3;3-4,7,13-15H,1-2,5-6H2;4-5,10-12H,2-3H2,1H3;2,4-5,10-12H,1,3H2.
What are the key properties of 2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol?
2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol has a molecular weight of 750.88 g/mol, XLogP of 8.26, 12 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(prop-2-enyl)benzene-1,3,5-triol;2,4-dipropylbenzene-1,3,5-triol;2-prop-2-enylbenzene-1,3,5-triol;2-propylbenzene-1,3,5-triol is sourced from PubChem (CID 160780872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).