(2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene

C25H26O2 — CID 67563916

IUPAC(2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene
SMILESCCC(OC)=C(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O2/c1-4-23(26-2)24(27-3)25(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,4H2,1-3H3
InChIKeyVZRNWWFKQPDMDK-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.94
Rot. Bonds7

About (2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene

(2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene (PubChem CID 67563916) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene.

Molecular Properties

Compound Name(2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene
PubChem CID67563916
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name(2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene
SMILESCCC(OC)=C(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O2/c1-4-23(26-2)24(27-3)25(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,4H2,1-3H3
InChIKeyVZRNWWFKQPDMDK-UHFFFAOYSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene 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

N-methoxy-2,2,2-triphenylacetamide
CID 175153772
(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
CID 22605235
methyl 2-methyl-2-phenylbutanoate
CID 562613
methyl 2-(2-methylphenyl)-2,2-diphenylacetate
CID 620898
(Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one
CID 59782170
CID 91481469
CID 91481469
methyl 2-ethyl-3-hydroxy-3-phenylpentanoate
CID 62394588
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
methyl 2-(aminomethyl)-2-phenylhexanoate
CID 106489213
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
2,2-diphenylpentan-3-one
CID 70793023

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene?
The IUPAC name of (2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene (CID 67563916) is (2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene.
What is the SMILES notation for (2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene?
The canonical SMILES for (2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene is CCC(OC)=C(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene?
The InChIKey is VZRNWWFKQPDMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-4-23(26-2)24(27-3)25(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,4H2,1-3H3.
What are the key properties of (2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene?
(2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene has a molecular weight of 358.48 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene is sourced from PubChem (CID 67563916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).