ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol

C23H28O — CID 142984897

IUPACethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol
SMILESC=C.C=CCCC/C(=C(\CC)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C21H24O.C2H4/c1-3-5-7-12-21(18-13-15-19(22)16-14-18)20(4-2)17-10-8-6-9-11-17;1-2/h3,6,8-11,13-16,22H,1,4-5,7,12H2,2H3;1-2H2/b21-20-;
InChIKeyNONPCEYUQAHOHT-CFRCJOIHSA-N
MW320.48 g/mol
LogP6.87
Rot. Bonds7

About ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol

ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol (PubChem CID 142984897) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol.

Molecular Properties

Compound Nameethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol
PubChem CID142984897
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Nameethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol
SMILESC=C.C=CCCC/C(=C(\CC)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C21H24O.C2H4/c1-3-5-7-12-21(18-13-15-19(22)16-14-18)20(4-2)17-10-8-6-9-11-17;1-2/h3,6,8-11,13-16,22H,1,4-5,7,12H2,2H3;1-2H2/b21-20-;
InChIKeyNONPCEYUQAHOHT-CFRCJOIHSA-N
XLogP6.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol?
The IUPAC name of ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol (CID 142984897) is ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol.
What is the SMILES notation for ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol?
The canonical SMILES for ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol is C=C.C=CCCC/C(=C(\CC)c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol?
The InChIKey is NONPCEYUQAHOHT-CFRCJOIHSA-N. The full InChI is InChI=1S/C21H24O.C2H4/c1-3-5-7-12-21(18-13-15-19(22)16-14-18)20(4-2)17-10-8-6-9-11-17;1-2/h3,6,8-11,13-16,22H,1,4-5,7,12H2,2H3;1-2H2/b21-20-;.
What are the key properties of ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol?
ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol has a molecular weight of 320.48 g/mol, XLogP of 6.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol is sourced from PubChem (CID 142984897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).