(1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol

C20H22O3 — CID 102105011

IUPAC(1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol
SMILESC=CCC(O)(/C=C/c1ccc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C20H22O3/c1-4-13-20(21,17-8-6-5-7-9-17)14-12-16-10-11-18(22-2)15-19(16)23-3/h4-12,14-15,21H,1,13H2,2-3H3/b14-12+
InChIKeyYVNMINMYOZBXIT-WYMLVPIESA-N
MW310.39 g/mol
LogP4.18
Rot. Bonds7

About (1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol

(1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol (PubChem CID 102105011) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol
PubChem CID102105011
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol
SMILESC=CCC(O)(/C=C/c1ccc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C20H22O3/c1-4-13-20(21,17-8-6-5-7-9-17)14-12-16-10-11-18(22-2)15-19(16)23-3/h4-12,14-15,21H,1,13H2,2-3H3/b14-12+
InChIKeyYVNMINMYOZBXIT-WYMLVPIESA-N
XLogP4.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 56681826
1-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
CID 175699870
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(E)-4-(2,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
CID 82159207
1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62375323
2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
CID 90326933
3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828511
(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine
CID 83350088
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
(3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol
CID 70908135

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol?
The IUPAC name of (1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol (CID 102105011) is (1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol.
What is the SMILES notation for (1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol?
The canonical SMILES for (1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol is C=CCC(O)(/C=C/c1ccc(OC)cc1OC)c1ccccc1.
What is the InChIKey of (1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol?
The InChIKey is YVNMINMYOZBXIT-WYMLVPIESA-N. The full InChI is InChI=1S/C20H22O3/c1-4-13-20(21,17-8-6-5-7-9-17)14-12-16-10-11-18(22-2)15-19(16)23-3/h4-12,14-15,21H,1,13H2,2-3H3/b14-12+.
What are the key properties of (1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol?
(1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol has a molecular weight of 310.39 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2,4-dimethoxyphenyl)-3-phenylhexa-1,5-dien-3-ol is sourced from PubChem (CID 102105011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).