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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride
CID 172690267
(E)-12,13-bis(4-hydroxyphenyl)-N-methylpentadec-12-enamide
CID 23364312
benzene-1,4-diol;hept-1-ene
CID 158567201
acetic acid;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 172835225
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 134349907
1-[4-(7-phenyldodec-6-en-6-yl)phenyl]prop-2-en-1-one
CID 54435609
1-phenylhepta-1,6-dienylbenzene
CID 11021254
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
[(Z)-4-methylhex-3-en-3-yl]benzene
CID 142361639

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).