(2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol

C22H26O — CID 122186591

IUPAC(2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H26O/c1-18(15-16-23)7-6-8-19(2)17-20-11-13-22(14-12-20)21-9-4-3-5-10-21/h3-5,8-15,23H,6-7,16-17H2,1-2H3/b18-15+,19-8+
InChIKeyBWZXNUHHRTYJKU-OCBACMADSA-N
MW306.45 g/mol
LogP5.56
Rot. Bonds7

About (2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol

(2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol (PubChem CID 122186591) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is (2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol
PubChem CID122186591
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name(2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H26O/c1-18(15-16-23)7-6-8-19(2)17-20-11-13-22(14-12-20)21-9-4-3-5-10-21/h3-5,8-15,23H,6-7,16-17H2,1-2H3/b18-15+,19-8+
InChIKeyBWZXNUHHRTYJKU-OCBACMADSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol (CID 122186591) is (2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol is C/C(=C\CO)CC/C=C(\C)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol?
The InChIKey is BWZXNUHHRTYJKU-OCBACMADSA-N. The full InChI is InChI=1S/C22H26O/c1-18(15-16-23)7-6-8-19(2)17-20-11-13-22(14-12-20)21-9-4-3-5-10-21/h3-5,8-15,23H,6-7,16-17H2,1-2H3/b18-15+,19-8+.
What are the key properties of (2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol?
(2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol has a molecular weight of 306.45 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7-dimethyl-8-(4-phenylphenyl)octa-2,6-dien-1-ol is sourced from PubChem (CID 122186591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).