4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol

C21H26O2 — CID 14771901

IUPAC4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol
SMILESCOc1ccc(/C=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1
InChIInChI=1S/C21H26O2/c1-14(2)19-12-17(13-20(15(3)4)21(19)22)7-6-16-8-10-18(23-5)11-9-16/h6-15,22H,1-5H3/b7-6+
InChIKeyBCNQQXHFSCLPDT-VOTSOKGWSA-N
MW310.44 g/mol
LogP5.82
Rot. Bonds5

About 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol

4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol (PubChem CID 14771901) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol
PubChem CID14771901
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol
SMILESCOc1ccc(/C=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1
InChIInChI=1S/C21H26O2/c1-14(2)19-12-17(13-20(15(3)4)21(19)22)7-6-16-8-10-18(23-5)11-9-16/h6-15,22H,1-5H3/b7-6+
InChIKeyBCNQQXHFSCLPDT-VOTSOKGWSA-N
XLogP5.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 667476
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CID 72300
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CID 192197
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CID 72303
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CID 6620
CID 6620
CID 11943
CID 11943
CID 79717
CID 79717
CID 8372
CID 8372
CID 10269
CID 10269
CID 3606
CID 3606
CID 81221
CID 81221
CID 75386
CID 75386

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol (CID 14771901) is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol is COc1ccc(/C=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1.
What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol?
The InChIKey is BCNQQXHFSCLPDT-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H26O2/c1-14(2)19-12-17(13-20(15(3)4)21(19)22)7-6-16-8-10-18(23-5)11-9-16/h6-15,22H,1-5H3/b7-6+.
What are the key properties of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol?
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol has a molecular weight of 310.44 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 14771901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).