(2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite

C17H19O3P — CID 175018654

IUPAC(2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite
SMILESCC(=CC(c1ccccc1)c1ccccc1)COP(O)O
InChIInChI=1S/C17H19O3P/c1-14(13-20-21(18)19)12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,17-19H,13H2,1H3
InChIKeyGUULNGRHQZNLRF-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.99
Rot. Bonds6

About (2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite

(2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite (PubChem CID 175018654) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is (2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite
PubChem CID175018654
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name(2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite
SMILESCC(=CC(c1ccccc1)c1ccccc1)COP(O)O
InChIInChI=1S/C17H19O3P/c1-14(13-20-21(18)19)12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,17-19H,13H2,1H3
InChIKeyGUULNGRHQZNLRF-UHFFFAOYSA-N
XLogP3.99
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite 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

10-phenyldodecyl dihydrogen phosphite
CID 154182802
[(Z)-3-nitro-1-phenylbut-2-enyl]benzene
CID 107293064
19,19-diphenylnonadecyl dihydrogen phosphite
CID 19792274
ethyl (Z)-2-(diethylamino)-4,4-diphenylbut-2-enoate;hydrochloride
CID 175493317
5-methyl-3-phenylhex-4-en-1-ol
CID 10932246
[(E,2R)-4-ethoxypent-3-en-2-yl]benzene
CID 59915630
(E)-4-methyl-6-phenylhept-4-en-2-one
CID 10241959
2-methylprop-2-enyl 2,2-diphenylacetate
CID 135086240
5-methyl-2,6-diphenylhex-5-enal
CID 173438897
2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite
CID 54107568
1,1-dichloropent-1-en-3-ylbenzene
CID 19885763
3-methoxy-1,1-diphenylpropan-2-one
CID 19419205

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite?
The IUPAC name of (2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite (CID 175018654) is (2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite.
What is the SMILES notation for (2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite?
The canonical SMILES for (2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite is CC(=CC(c1ccccc1)c1ccccc1)COP(O)O.
What is the InChIKey of (2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite?
The InChIKey is GUULNGRHQZNLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P/c1-14(13-20-21(18)19)12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,17-19H,13H2,1H3.
What are the key properties of (2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite?
(2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite has a molecular weight of 302.31 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite is sourced from PubChem (CID 175018654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).