2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol

C20H22O2 — CID 70557455

IUPAC2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol
SMILESC=CCc1cc(CCc2c(O)cccc2CC=C)ccc1O
InChIInChI=1S/C20H22O2/c1-3-6-16-8-5-9-20(22)18(16)12-10-15-11-13-19(21)17(14-15)7-4-2/h3-5,8-9,11,13-14,21-22H,1-2,6-7,10,12H2
InChIKeyXRXYQGIOZALPFO-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.34
Rot. Bonds7

About 2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol

2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol (PubChem CID 70557455) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol.

Molecular Properties

Compound Name2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol
PubChem CID70557455
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol
SMILESC=CCc1cc(CCc2c(O)cccc2CC=C)ccc1O
InChIInChI=1S/C20H22O2/c1-3-6-16-8-5-9-20(22)18(16)12-10-15-11-13-19(21)17(14-15)7-4-2/h3-5,8-9,11,13-14,21-22H,1-2,6-7,10,12H2
InChIKeyXRXYQGIOZALPFO-UHFFFAOYSA-N
XLogP4.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enyl-2-propylphenol
CID 139705767
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
2-prop-2-enyl-3-propylphenol
CID 19877308
boric acid;2-prop-2-enylphenol
CID 70457137
(2S)-2-amino-3-(4-hydroxy-3-prop-2-enylphenyl)propanoic acid
CID 70486042
5-prop-2-enylnaphthalen-1-ol
CID 139534699
2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol
CID 139341266
naphthalen-1-ol;2-prop-2-enylphenol
CID 174719033
3,4-bis(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 146318695
1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene
CID 70536886
4-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol?
The IUPAC name of 2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol (CID 70557455) is 2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol.
What is the SMILES notation for 2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol?
The canonical SMILES for 2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol is C=CCc1cc(CCc2c(O)cccc2CC=C)ccc1O.
What is the InChIKey of 2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol?
The InChIKey is XRXYQGIOZALPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-3-6-16-8-5-9-20(22)18(16)12-10-15-11-13-19(21)17(14-15)7-4-2/h3-5,8-9,11,13-14,21-22H,1-2,6-7,10,12H2.
What are the key properties of 2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol?
2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol has a molecular weight of 294.39 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxy-3-prop-2-enylphenyl)ethyl]-3-prop-2-enylphenol is sourced from PubChem (CID 70557455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).