1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene

C26H29O2P — CID 102492857

IUPAC1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene
SMILESCCCC(/C=C\CP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C26H29O2P/c1-3-11-22(23-17-19-24(28-2)20-18-23)12-10-21-29(27,25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-10,12-20,22H,3,11,21H2,1-2H3/b12-10-
InChIKeyGQULJUNJWOYWNJ-BENRWUELSA-N
MW404.49 g/mol
LogP6.15
Rot. Bonds9

About 1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene

1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene (PubChem CID 102492857) has the molecular formula C26H29O2P and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene
PubChem CID102492857
Molecular FormulaC26H29O2P
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene
SMILESCCCC(/C=C\CP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C26H29O2P/c1-3-11-22(23-17-19-24(28-2)20-18-23)12-10-21-29(27,25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-10,12-20,22H,3,11,21H2,1-2H3/b12-10-
InChIKeyGQULJUNJWOYWNJ-BENRWUELSA-N
XLogP6.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene 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

(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine
CID 101087200
1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
CID 11002796
1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene
CID 102079246
(1S,2R,4R)-2-diphenylphosphoryl-1-(4-methoxyphenyl)octane-1,4-diol
CID 10623509
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine
CID 10882664
1-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]-4-methoxybenzene
CID 102168109
(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
CID 13152614
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane
CID 90776006
S-[1-(4-methoxyphenyl)-1-oxopentan-2-yl] benzenecarbothioate
CID 86099043
anisole;butane;2,2-dimethylpropanal
CID 142135610

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene (CID 102492857) is 1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene is CCCC(/C=C\CP(=O)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene?
The InChIKey is GQULJUNJWOYWNJ-BENRWUELSA-N. The full InChI is InChI=1S/C26H29O2P/c1-3-11-22(23-17-19-24(28-2)20-18-23)12-10-21-29(27,25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-10,12-20,22H,3,11,21H2,1-2H3/b12-10-.
What are the key properties of 1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene?
1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene has a molecular weight of 404.49 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-diphenylphosphorylhept-2-en-4-yl]-4-methoxybenzene is sourced from PubChem (CID 102492857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).