4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol

C24H24O3 — CID 10948394

IUPAC4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol
SMILESCCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H24O3/c1-2-3-4-23(17-5-11-20(25)12-6-17)24(18-7-13-21(26)14-8-18)19-9-15-22(27)16-10-19/h5-16,25-27H,2-4H2,1H3
InChIKeyQMNAADNBEBCAEQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.95
Rot. Bonds6

About 4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol

4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol (PubChem CID 10948394) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol.

Molecular Properties

Compound Name4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol
PubChem CID10948394
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol
SMILESCCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H24O3/c1-2-3-4-23(17-5-11-20(25)12-6-17)24(18-7-13-21(26)14-8-18)19-9-15-22(27)16-10-19/h5-16,25-27H,2-4H2,1H3
InChIKeyQMNAADNBEBCAEQ-UHFFFAOYSA-N
XLogP5.95
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Tyrosol
CID 10393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol?
The IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol (CID 10948394) is 4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol.
What is the SMILES notation for 4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol?
The canonical SMILES for 4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol is CCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol?
The InChIKey is QMNAADNBEBCAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-2-3-4-23(17-5-11-20(25)12-6-17)24(18-7-13-21(26)14-8-18)19-9-15-22(27)16-10-19/h5-16,25-27H,2-4H2,1H3.
What are the key properties of 4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol?
4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol has a molecular weight of 360.45 g/mol, XLogP of 5.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenol is sourced from PubChem (CID 10948394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).