ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

C22H30O2 — CID 159824823

IUPACethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.CC.CC
InChIInChI=1S/C18H18O2.2C2H6/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20;2*1-2/h3-4,7-12,19-20H,1-2,5-6H2;2*1-2H3
InChIKeyNMRXBQKDALGKCH-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.27
Rot. Bonds5

About ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol (PubChem CID 159824823) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Nameethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
PubChem CID159824823
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Nameethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.CC.CC
InChIInChI=1S/C18H18O2.2C2H6/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20;2*1-2/h3-4,7-12,19-20H,1-2,5-6H2;2*1-2H3
InChIKeyNMRXBQKDALGKCH-UHFFFAOYSA-N
XLogP6.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.27
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

4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol
CID 163721087
[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate
CID 174918165
2-[[bis(2-methylpropyl)amino]methyl]-6-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 171348933
2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol
CID 174351688
7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol
CID 102144038
4-prop-2-enyl-2-sulfanylphenol
CID 89013961
2-prop-1-en-2-yl-4-prop-2-enylphenol
CID 175301273
(4R,5S)-5-hydroxy-4-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]hexan-3-one
CID 163005298
2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol
CID 54509125
2-butan-2-yl-4-prop-2-enylphenol
CID 155933594

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The IUPAC name of ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol (CID 159824823) is ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol.
What is the SMILES notation for ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The canonical SMILES for ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol is C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.CC.CC.
What is the InChIKey of ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The InChIKey is NMRXBQKDALGKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2.2C2H6/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20;2*1-2/h3-4,7-12,19-20H,1-2,5-6H2;2*1-2H3.
What are the key properties of ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol has a molecular weight of 326.48 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol is sourced from PubChem (CID 159824823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).