4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol

C44H56O4 — CID 12990064

IUPAC4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol
SMILESCOc1ccc(C(C)(C)C)cc1/C(=C(/c1cc(C(C)(C)C)ccc1O)c1cc(C(C)(C)C)ccc1OC)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C44H56O4/c1-41(2,3)27-15-19-35(45)31(23-27)39(33-25-29(43(7,8)9)17-21-37(33)47-13)40(32-24-28(42(4,5)6)16-20-36(32)46)34-26-30(44(10,11)12)18-22-38(34)48-14/h15-26,45-46H,1-14H3/b40-39-
InChIKeyYPSBSLRHNYGCLD-MRNGAQBPSA-N
MW648.93 g/mol
LogP11.31
Rot. Bonds6

About 4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol

4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol (PubChem CID 12990064) has the molecular formula C44H56O4 and a molecular weight of 648.93 g/mol. Its IUPAC name is 4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol
PubChem CID12990064
Molecular FormulaC44H56O4
Molecular Weight648.93 g/mol
Exact Mass648.42
IUPAC Name4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol
SMILESCOc1ccc(C(C)(C)C)cc1/C(=C(/c1cc(C(C)(C)C)ccc1O)c1cc(C(C)(C)C)ccc1OC)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C44H56O4/c1-41(2,3)27-15-19-35(45)31(23-27)39(33-25-29(43(7,8)9)17-21-37(33)47-13)40(32-24-28(42(4,5)6)16-20-36(32)46)34-26-30(44(10,11)12)18-22-38(34)48-14/h15-26,45-46H,1-14H3/b40-39-
InChIKeyYPSBSLRHNYGCLD-MRNGAQBPSA-N
XLogP11.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.93
LogP ≤ 511.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
CID 90829503
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CID 116827761
(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone
CID 116924278
2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol
CID 141133714
5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
CID 116847946
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718
1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110761321
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
2-(5-tert-butyl-2-hydroxyphenyl)-2-oxoacetic acid
CID 117317802
4-(2-fluoropropan-2-yl)-2-methoxyphenol
CID 84659603
(Z)-2-(5-tert-butyl-2-methoxyphenyl)-4-methylpent-2-enenitrile
CID 82089328
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
CID 110761334

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol?
The IUPAC name of 4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol (CID 12990064) is 4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol is COc1ccc(C(C)(C)C)cc1/C(=C(/c1cc(C(C)(C)C)ccc1O)c1cc(C(C)(C)C)ccc1OC)c1cc(C(C)(C)C)ccc1O.
What is the InChIKey of 4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol?
The InChIKey is YPSBSLRHNYGCLD-MRNGAQBPSA-N. The full InChI is InChI=1S/C44H56O4/c1-41(2,3)27-15-19-35(45)31(23-27)39(33-25-29(43(7,8)9)17-21-37(33)47-13)40(32-24-28(42(4,5)6)16-20-36(32)46)34-26-30(44(10,11)12)18-22-38(34)48-14/h15-26,45-46H,1-14H3/b40-39-.
What are the key properties of 4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol?
4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol has a molecular weight of 648.93 g/mol, XLogP of 11.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 12990064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).