4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol

C27H32O2 — CID 19746559

IUPAC4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol
SMILESC=CCc1c(O)ccc(C(CC)c2ccc(O)c(CC=C)c2CC=C)c1CC=C
InChIInChI=1S/C27H32O2/c1-6-11-20-22(15-17-26(28)24(20)13-8-3)19(10-5)23-16-18-27(29)25(14-9-4)21(23)12-7-2/h6-9,15-19,28-29H,1-4,10-14H2,5H3
InChIKeyGRHWSALQLGUBRD-UHFFFAOYSA-N
MW388.55 g/mol
LogP6.55
Rot. Bonds11

About 4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol

4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol (PubChem CID 19746559) has the molecular formula C27H32O2 and a molecular weight of 388.55 g/mol. Its IUPAC name is 4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol.

Molecular Properties

Compound Name4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol
PubChem CID19746559
Molecular FormulaC27H32O2
Molecular Weight388.55 g/mol
Exact Mass388.24
IUPAC Name4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol
SMILESC=CCc1c(O)ccc(C(CC)c2ccc(O)c(CC=C)c2CC=C)c1CC=C
InChIInChI=1S/C27H32O2/c1-6-11-20-22(15-17-26(28)24(20)13-8-3)19(10-5)23-16-18-27(29)25(14-9-4)21(23)12-7-2/h6-9,15-19,28-29H,1-4,10-14H2,5H3
InChIKeyGRHWSALQLGUBRD-UHFFFAOYSA-N
XLogP6.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol?
The IUPAC name of 4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol (CID 19746559) is 4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol.
What is the SMILES notation for 4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol?
The canonical SMILES for 4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol is C=CCc1c(O)ccc(C(CC)c2ccc(O)c(CC=C)c2CC=C)c1CC=C.
What is the InChIKey of 4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol?
The InChIKey is GRHWSALQLGUBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O2/c1-6-11-20-22(15-17-26(28)24(20)13-8-3)19(10-5)23-16-18-27(29)25(14-9-4)21(23)12-7-2/h6-9,15-19,28-29H,1-4,10-14H2,5H3.
What are the key properties of 4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol?
4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol has a molecular weight of 388.55 g/mol, XLogP of 6.55, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-hydroxy-2,3-bis(prop-2-enyl)phenyl]propyl]-2,3-bis(prop-2-enyl)phenol is sourced from PubChem (CID 19746559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).