4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol

C37H36O4 — CID 142305622

IUPAC4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol
SMILESC=CCc1cc(C(c2ccc(-c3ccccc3)cc2)c2cc(CC=C)c(O)c(CC=C)c2O)c(O)c(CC=C)c1O
InChIInChI=1S/C37H36O4/c1-5-12-27-22-31(36(40)29(14-7-3)34(27)38)33(26-20-18-25(19-21-26)24-16-10-9-11-17-24)32-23-28(13-6-2)35(39)30(15-8-4)37(32)41/h5-11,16-23,33,38-41H,1-4,12-15H2
InChIKeyDTHOITAPRXRIHG-UHFFFAOYSA-N
MW544.69 g/mol
LogP8.27
Rot. Bonds12

About 4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol

4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol (PubChem CID 142305622) has the molecular formula C37H36O4 and a molecular weight of 544.69 g/mol. Its IUPAC name is 4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol
PubChem CID142305622
Molecular FormulaC37H36O4
Molecular Weight544.69 g/mol
Exact Mass544.26
IUPAC Name4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol
SMILESC=CCc1cc(C(c2ccc(-c3ccccc3)cc2)c2cc(CC=C)c(O)c(CC=C)c2O)c(O)c(CC=C)c1O
InChIInChI=1S/C37H36O4/c1-5-12-27-22-31(36(40)29(14-7-3)34(27)38)33(26-20-18-25(19-21-26)24-16-10-9-11-17-24)32-23-28(13-6-2)35(39)30(15-8-4)37(32)41/h5-11,16-23,33,38-41H,1-4,12-15H2
InChIKeyDTHOITAPRXRIHG-UHFFFAOYSA-N
XLogP8.27
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.69
LogP ≤ 58.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol
CID 121483228
3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol
CID 56620005
4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol
CID 164762243
3-benzyl-1-prop-2-enylnaphthalen-2-ol
CID 164665597
4,5-dimethyl-2-phenyl-3-prop-2-enylphenol
CID 174558136
3-amino-2,6-bis(prop-2-enyl)phenol
CID 158258478
4-phenyl-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 155642904
3-methoxy-7-phenyl-1-prop-2-enylnaphthalen-2-ol
CID 138978939
5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one
CID 71463561
2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol
CID 164762169
N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide
CID 136928051
1-ethenyl-2,3-diphenyl-4-prop-2-enylbenzene
CID 174868739

Frequently Asked Questions

What is the IUPAC name of 4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol?
The IUPAC name of 4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol (CID 142305622) is 4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol.
What is the SMILES notation for 4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol?
The canonical SMILES for 4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol is C=CCc1cc(C(c2ccc(-c3ccccc3)cc2)c2cc(CC=C)c(O)c(CC=C)c2O)c(O)c(CC=C)c1O.
What is the InChIKey of 4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol?
The InChIKey is DTHOITAPRXRIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36O4/c1-5-12-27-22-31(36(40)29(14-7-3)34(27)38)33(26-20-18-25(19-21-26)24-16-10-9-11-17-24)32-23-28(13-6-2)35(39)30(15-8-4)37(32)41/h5-11,16-23,33,38-41H,1-4,12-15H2.
What are the key properties of 4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol?
4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol has a molecular weight of 544.69 g/mol, XLogP of 8.27, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,4-dihydroxy-3,5-bis(prop-2-enyl)phenyl]-(4-phenylphenyl)methyl]-2,6-bis(prop-2-enyl)benzene-1,3-diol is sourced from PubChem (CID 142305622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).