(2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol

C25H32O — CID 176836101

IUPAC(2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol
SMILESCC/C=C/C=C(\CC)C(O)(c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H32O/c1-6-8-10-13-20(7-2)25(26,22-14-11-9-12-15-22)23-18-16-21(17-19-23)24(3,4)5/h8-19,26H,6-7H2,1-5H3/b10-8+,20-13+
InChIKeyTVZXHGJWXDEODN-VMHIOKEMSA-N
MW348.53 g/mol
LogP6.52
Rot. Bonds6

About (2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol

(2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol (PubChem CID 176836101) has the molecular formula C25H32O and a molecular weight of 348.53 g/mol. Its IUPAC name is (2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol
PubChem CID176836101
Molecular FormulaC25H32O
Molecular Weight348.53 g/mol
Exact Mass348.25
IUPAC Name(2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol
SMILESCC/C=C/C=C(\CC)C(O)(c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H32O/c1-6-8-10-13-20(7-2)25(26,22-14-11-9-12-15-22)23-18-16-21(17-19-23)24(3,4)5/h8-19,26H,6-7H2,1-5H3/b10-8+,20-13+
InChIKeyTVZXHGJWXDEODN-VMHIOKEMSA-N
XLogP6.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol (CID 176836101) is (2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol is CC/C=C/C=C(\CC)C(O)(c1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol?
The InChIKey is TVZXHGJWXDEODN-VMHIOKEMSA-N. The full InChI is InChI=1S/C25H32O/c1-6-8-10-13-20(7-2)25(26,22-14-11-9-12-15-22)23-18-16-21(17-19-23)24(3,4)5/h8-19,26H,6-7H2,1-5H3/b10-8+,20-13+.
What are the key properties of (2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol?
(2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol has a molecular weight of 348.53 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol is sourced from PubChem (CID 176836101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).