1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol

C24H26O — CID 173308644

IUPAC1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol
SMILESCCc1ccc(C=CC=CC=CC(O)=Cc2ccc(CC)cc2)cc1
InChIInChI=1S/C24H26O/c1-3-20-11-15-22(16-12-20)9-7-5-6-8-10-24(25)19-23-17-13-21(4-2)14-18-23/h5-19,25H,3-4H2,1-2H3
InChIKeyVMDQXNIUXABMDZ-UHFFFAOYSA-N
MW330.47 g/mol
LogP6.54
Rot. Bonds7

About 1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol

1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol (PubChem CID 173308644) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol.

Molecular Properties

Compound Name1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol
PubChem CID173308644
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol
SMILESCCc1ccc(C=CC=CC=CC(O)=Cc2ccc(CC)cc2)cc1
InChIInChI=1S/C24H26O/c1-3-20-11-15-22(16-12-20)9-7-5-6-8-10-24(25)19-23-17-13-21(4-2)14-18-23/h5-19,25H,3-4H2,1-2H3
InChIKeyVMDQXNIUXABMDZ-UHFFFAOYSA-N
XLogP6.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
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N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine
CID 143411666
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
3-[4-[2-(4-ethylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20993275
bis[4-[2-(4-ethylphenyl)ethenyl]phenyl]-dimethylsilane
CID 72543241
2-ethoxy-3-(4-ethylphenyl)prop-2-enoic acid
CID 139651424
3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid
CID 79726802
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[2-[4-[2-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-ethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-ethylaniline
CID 72573965
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid
CID 83953215

Frequently Asked Questions

What is the IUPAC name of 1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol?
The IUPAC name of 1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol (CID 173308644) is 1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol.
What is the SMILES notation for 1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol?
The canonical SMILES for 1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol is CCc1ccc(C=CC=CC=CC(O)=Cc2ccc(CC)cc2)cc1.
What is the InChIKey of 1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol?
The InChIKey is VMDQXNIUXABMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-3-20-11-15-22(16-12-20)9-7-5-6-8-10-24(25)19-23-17-13-21(4-2)14-18-23/h5-19,25H,3-4H2,1-2H3.
What are the key properties of 1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol?
1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol has a molecular weight of 330.47 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(4-ethylphenyl)octa-1,3,5,7-tetraen-2-ol is sourced from PubChem (CID 173308644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).