6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C27H37O2P — CID 139786055

IUPAC6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCCOP(=O)(CC)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C27H37O2P/c1-8-29-30(28,9-2)23-13-10-21(11-14-23)18-20(3)22-12-15-24-25(19-22)27(6,7)17-16-26(24,4)5/h10-15,18-19H,8-9,16-17H2,1-7H3/b20-18+
InChIKeyLWHIMTXBNCVEFU-CZIZESTLSA-N
MW424.57 g/mol
LogP7.56
Rot. Bonds6

About 6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 139786055) has the molecular formula C27H37O2P and a molecular weight of 424.57 g/mol. Its IUPAC name is 6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID139786055
Molecular FormulaC27H37O2P
Molecular Weight424.57 g/mol
Exact Mass424.25
IUPAC Name6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCCOP(=O)(CC)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C27H37O2P/c1-8-29-30(28,9-2)23-13-10-21(11-14-23)18-20(3)22-12-15-24-25(19-22)27(6,7)17-16-26(24,4)5/h10-15,18-19H,8-9,16-17H2,1-7H3/b20-18+
InChIKeyLWHIMTXBNCVEFU-CZIZESTLSA-N
XLogP7.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 139786055) is 6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is CCOP(=O)(CC)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of 6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is LWHIMTXBNCVEFU-CZIZESTLSA-N. The full InChI is InChI=1S/C27H37O2P/c1-8-29-30(28,9-2)23-13-10-21(11-14-23)18-20(3)22-12-15-24-25(19-22)27(6,7)17-16-26(24,4)5/h10-15,18-19H,8-9,16-17H2,1-7H3/b20-18+.
What are the key properties of 6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 424.57 g/mol, XLogP of 7.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-[4-[ethoxy(ethyl)phosphoryl]phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 139786055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).