1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene

C23H23O3P — CID 102168109

IUPAC1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene
SMILESCOC/C(=C/c1ccc(OC)cc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23O3P/c1-25-18-23(17-19-13-15-20(26-2)16-14-19)27(24,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3/b23-17-
InChIKeyZWHVHTIGHCKNKP-QJOMJCCJSA-N
MW378.41 g/mol
LogP4.70
Rot. Bonds7

About 1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene

1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene (PubChem CID 102168109) has the molecular formula C23H23O3P and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene
PubChem CID102168109
Molecular FormulaC23H23O3P
Molecular Weight378.41 g/mol
Exact Mass378.14
IUPAC Name1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene
SMILESCOC/C(=C/c1ccc(OC)cc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23O3P/c1-25-18-23(17-19-13-15-20(26-2)16-14-19)27(24,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3/b23-17-
InChIKeyZWHVHTIGHCKNKP-QJOMJCCJSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene
CID 102168111
(E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol
CID 13199975
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol
CID 46867451
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
phenyl (E)-2-di(propan-2-yloxy)phosphoryl-3-(4-methoxyphenyl)prop-2-enoate
CID 132542495
(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
CID 10965119
(E)-3-fluoro-4-(4-methoxyphenyl)-1-phenylbut-3-en-2-one
CID 11701747
(E)-2-diethoxyphosphoryl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 102323559
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide
CID 9315920

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene (CID 102168109) is 1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene is COC/C(=C/c1ccc(OC)cc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene?
The InChIKey is ZWHVHTIGHCKNKP-QJOMJCCJSA-N. The full InChI is InChI=1S/C23H23O3P/c1-25-18-23(17-19-13-15-20(26-2)16-14-19)27(24,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3/b23-17-.
What are the key properties of 1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene?
1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene has a molecular weight of 378.41 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene is sourced from PubChem (CID 102168109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).