2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol

C30H26O5 — CID 66963467

IUPAC2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol
SMILESC=CC(OC(C=C)(c1ccccc1O)c1ccccc1O)(c1ccccc1O)c1ccccc1O
InChIInChI=1S/C30H26O5/c1-3-29(21-13-5-9-17-25(21)31,22-14-6-10-18-26(22)32)35-30(4-2,23-15-7-11-19-27(23)33)24-16-8-12-20-28(24)34/h3-20,31-34H,1-2H2
InChIKeyVOBDMNVNUDKUDP-UHFFFAOYSA-N
MW466.53 g/mol
LogP6.09
Rot. Bonds8

About 2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol

2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol (PubChem CID 66963467) has the molecular formula C30H26O5 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol.

Molecular Properties

Compound Name2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol
PubChem CID66963467
Molecular FormulaC30H26O5
Molecular Weight466.53 g/mol
Exact Mass466.18
IUPAC Name2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol
SMILESC=CC(OC(C=C)(c1ccccc1O)c1ccccc1O)(c1ccccc1O)c1ccccc1O
InChIInChI=1S/C30H26O5/c1-3-29(21-13-5-9-17-25(21)31,22-14-6-10-18-26(22)32)35-30(4-2,23-15-7-11-19-27(23)33)24-16-8-12-20-28(24)34/h3-20,31-34H,1-2H2
InChIKeyVOBDMNVNUDKUDP-UHFFFAOYSA-N
XLogP6.09
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 56.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxybut-3-en-2-yl)phenol
CID 13380598
3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol
CID 154196116
2-(trifluoromethyl)phenol
CID 162212145
aminosulfanyl-(2-hydroxyphenyl)methanediol
CID 154431600
2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol
CID 14939211
ethenoxyethene;2-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 23109868
benzene-1,2-diol;ruthenium
CID 175866633
2-tert-butylphenol;2-methylprop-1-ene
CID 160954539
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
CID 172777673
CID 172777673
2-tert-butylphenol;2-prop-2-enylphenol
CID 88688446
2-(2-hydroxyphenyl)-2-methylpropanal
CID 88788107

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol?
The IUPAC name of 2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol (CID 66963467) is 2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol.
What is the SMILES notation for 2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol?
The canonical SMILES for 2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol is C=CC(OC(C=C)(c1ccccc1O)c1ccccc1O)(c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol?
The InChIKey is VOBDMNVNUDKUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O5/c1-3-29(21-13-5-9-17-25(21)31,22-14-6-10-18-26(22)32)35-30(4-2,23-15-7-11-19-27(23)33)24-16-8-12-20-28(24)34/h3-20,31-34H,1-2H2.
What are the key properties of 2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol?
2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol has a molecular weight of 466.53 g/mol, XLogP of 6.09, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol is sourced from PubChem (CID 66963467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).