3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol

C27H26O3 — CID 146318695

IUPAC3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol
SMILESC=CCc1cc(-c2ccc(O)c(CC=C)c2-c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C27H26O3/c1-4-7-19-16-18(10-13-24(19)28)22-12-15-26(30)23(9-6-3)27(22)21-11-14-25(29)20(17-21)8-5-2/h4-6,10-17,28-30H,1-3,7-9H2
InChIKeyPTVJKHKGRIYUFF-UHFFFAOYSA-N
MW398.50 g/mol
LogP6.32
Rot. Bonds8

About 3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol

3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol (PubChem CID 146318695) has the molecular formula C27H26O3 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol.

Molecular Properties

Compound Name3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol
PubChem CID146318695
Molecular FormulaC27H26O3
Molecular Weight398.50 g/mol
Exact Mass398.19
IUPAC Name3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol
SMILESC=CCc1cc(-c2ccc(O)c(CC=C)c2-c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C27H26O3/c1-4-7-19-16-18(10-13-24(19)28)22-12-15-26(30)23(9-6-3)27(22)21-11-14-25(29)20(17-21)8-5-2/h4-6,10-17,28-30H,1-3,7-9H2
InChIKeyPTVJKHKGRIYUFF-UHFFFAOYSA-N
XLogP6.32
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
4-(4-methoxyphenyl)-2-prop-2-enylphenol
CID 54757995
4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938
1-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]propane-1,2,3-triol
CID 74429995
(2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol
CID 72734679
4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 54756875
2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol
CID 121483228
2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol
CID 73334664
N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide
CID 166453549
3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde
CID 56680360
2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol
CID 70557455
4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 155030696

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol?
The IUPAC name of 3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol (CID 146318695) is 3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol.
What is the SMILES notation for 3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol?
The canonical SMILES for 3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol is C=CCc1cc(-c2ccc(O)c(CC=C)c2-c2ccc(O)c(CC=C)c2)ccc1O.
What is the InChIKey of 3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol?
The InChIKey is PTVJKHKGRIYUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O3/c1-4-7-19-16-18(10-13-24(19)28)22-12-15-26(30)23(9-6-3)27(22)21-11-14-25(29)20(17-21)8-5-2/h4-6,10-17,28-30H,1-3,7-9H2.
What are the key properties of 3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol?
3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol has a molecular weight of 398.50 g/mol, XLogP of 6.32, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol is sourced from PubChem (CID 146318695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).