[5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium

C24H22O4Pr — CID 20685342

IUPAC[5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium
SMILESC/C=C/c1ccc(O)cc1C(=O)c1ccc(OC)cc1OCc1ccccc1.[Pr]
InChIInChI=1S/C24H22O4.Pr/c1-3-7-18-10-11-19(25)14-22(18)24(26)21-13-12-20(27-2)15-23(21)28-16-17-8-5-4-6-9-17;/h3-15,25H,16H2,1-2H3;/b7-3+;
InChIKeyNWHOTHYKMKYADN-CDQVLDCRSA-N
MW515.34 g/mol
LogP5.24
Rot. Bonds7

About [5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium

[5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium (PubChem CID 20685342) has the molecular formula C24H22O4Pr and a molecular weight of 515.34 g/mol. Its IUPAC name is [5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium.

Molecular Properties

Compound Name[5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium
PubChem CID20685342
Molecular FormulaC24H22O4Pr
Molecular Weight515.34 g/mol
Exact Mass515.06
IUPAC Name[5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium
SMILESC/C=C/c1ccc(O)cc1C(=O)c1ccc(OC)cc1OCc1ccccc1.[Pr]
InChIInChI=1S/C24H22O4.Pr/c1-3-7-18-10-11-19(25)14-22(18)24(26)21-13-12-20(27-2)15-23(21)28-16-17-8-5-4-6-9-17;/h3-15,25H,16H2,1-2H3;/b7-3+;
InChIKeyNWHOTHYKMKYADN-CDQVLDCRSA-N
XLogP5.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.34
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887379
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
1-(2,4-dimethoxyphenyl)-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826677
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887380
1-(2-ethoxy-4-phenylmethoxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826595
(2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone
CID 22897761
3-(2-ethoxy-4-methoxyphenyl)-1-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826570
1,3-bis(4-hydroxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 139808020
3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826440
1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
(E)-1-[2-hydroxy-4-methyl-3-(3-methylbut-2-enyl)phenyl]-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 158805588

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium?
The IUPAC name of [5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium (CID 20685342) is [5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium.
What is the SMILES notation for [5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium?
The canonical SMILES for [5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium is C/C=C/c1ccc(O)cc1C(=O)c1ccc(OC)cc1OCc1ccccc1.[Pr].
What is the InChIKey of [5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium?
The InChIKey is NWHOTHYKMKYADN-CDQVLDCRSA-N. The full InChI is InChI=1S/C24H22O4.Pr/c1-3-7-18-10-11-19(25)14-22(18)24(26)21-13-12-20(27-2)15-23(21)28-16-17-8-5-4-6-9-17;/h3-15,25H,16H2,1-2H3;/b7-3+;.
What are the key properties of [5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium?
[5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium has a molecular weight of 515.34 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium is sourced from PubChem (CID 20685342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).