2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

C36H40O4 — CID 157385914

IUPAC2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.CC(C)c1ccc(O)c(-c2cc(C(C)C)ccc2O)c1
InChIInChI=1S/C18H22O2.C18H18O2/c1-11(2)13-5-7-17(19)15(9-13)16-10-14(12(3)4)6-8-18(16)20;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h5-12,19-20H,1-4H3;3-4,7-12,19-20H,1-2,5-6H2
InChIKeyBLKRWNZLLYZTKC-UHFFFAOYSA-N
MW536.71 g/mol
LogP9.23
Rot. Bonds8

About 2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol (PubChem CID 157385914) has the molecular formula C36H40O4 and a molecular weight of 536.71 g/mol. Its IUPAC name is 2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
PubChem CID157385914
Molecular FormulaC36H40O4
Molecular Weight536.71 g/mol
Exact Mass536.29
IUPAC Name2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.CC(C)c1ccc(O)c(-c2cc(C(C)C)ccc2O)c1
InChIInChI=1S/C18H22O2.C18H18O2/c1-11(2)13-5-7-17(19)15(9-13)16-10-14(12(3)4)6-8-18(16)20;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h5-12,19-20H,1-4H3;3-4,7-12,19-20H,1-2,5-6H2
InChIKeyBLKRWNZLLYZTKC-UHFFFAOYSA-N
XLogP9.23
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.71
LogP ≤ 59.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
(4R,5S)-5-hydroxy-4-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]hexan-3-one
CID 163005298
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
1-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]propane-1,2-diol
CID 5319207
2-butan-2-yl-4-prop-2-enylphenol
CID 155933594
2-[[bis(2-methylpropyl)amino]methyl]-6-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 171348933
2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol
CID 163721087
3-propan-2-yl-5-prop-2-enylphenol
CID 169324480
(1R,2S)-1-[17-[(1R,2S)-1,2-dihydroxypropyl]-12,25-bis(prop-2-enyl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-4-yl]propane-1,2-diol
CID 71580864
[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate
CID 174918165
3-[2-(5-ethenyl-2-hydroxyphenyl)-4-prop-2-enylphenoxy]-1-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol
CID 24861536
2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene
CID 169493054

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The IUPAC name of 2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol (CID 157385914) is 2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol.
What is the SMILES notation for 2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The canonical SMILES for 2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol is C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.CC(C)c1ccc(O)c(-c2cc(C(C)C)ccc2O)c1.
What is the InChIKey of 2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The InChIKey is BLKRWNZLLYZTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2.C18H18O2/c1-11(2)13-5-7-17(19)15(9-13)16-10-14(12(3)4)6-8-18(16)20;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h5-12,19-20H,1-4H3;3-4,7-12,19-20H,1-2,5-6H2.
What are the key properties of 2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol has a molecular weight of 536.71 g/mol, XLogP of 9.23, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol is sourced from PubChem (CID 157385914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).