1-[chloro(diphenyl)methyl]-4-phenoxybenzene

C25H19ClO — CID 15182049

IUPAC1-[chloro(diphenyl)methyl]-4-phenoxybenzene
SMILESClC(c1ccccc1)(c1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H19ClO/c26-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-16-18-24(19-17-22)27-23-14-8-3-9-15-23/h1-19H
InChIKeyGTNNMWIWYKCUNC-UHFFFAOYSA-N
MW370.88 g/mol
LogP7.01
Rot. Bonds5

About 1-[chloro(diphenyl)methyl]-4-phenoxybenzene

1-[chloro(diphenyl)methyl]-4-phenoxybenzene (PubChem CID 15182049) has the molecular formula C25H19ClO and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[chloro(diphenyl)methyl]-4-phenoxybenzene.

Molecular Properties

Compound Name1-[chloro(diphenyl)methyl]-4-phenoxybenzene
PubChem CID15182049
Molecular FormulaC25H19ClO
Molecular Weight370.88 g/mol
Exact Mass370.11
IUPAC Name1-[chloro(diphenyl)methyl]-4-phenoxybenzene
SMILESClC(c1ccccc1)(c1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H19ClO/c26-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-16-18-24(19-17-22)27-23-14-8-3-9-15-23/h1-19H
InChIKeyGTNNMWIWYKCUNC-UHFFFAOYSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.88
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[chloro(diphenyl)methyl]-4-phenoxybenzene 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

[4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene
CID 138738136
2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde
CID 87850668
[chloro(diphenyl)methyl]benzene;dichloromethane
CID 162037283
1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene
CID 14093485
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
CID 159259752
CID 159259752
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
potassium;hydride;phenoxybenzene
CID 173391576
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene
CID 134940295

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(diphenyl)methyl]-4-phenoxybenzene?
The IUPAC name of 1-[chloro(diphenyl)methyl]-4-phenoxybenzene (CID 15182049) is 1-[chloro(diphenyl)methyl]-4-phenoxybenzene.
What is the SMILES notation for 1-[chloro(diphenyl)methyl]-4-phenoxybenzene?
The canonical SMILES for 1-[chloro(diphenyl)methyl]-4-phenoxybenzene is ClC(c1ccccc1)(c1ccccc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[chloro(diphenyl)methyl]-4-phenoxybenzene?
The InChIKey is GTNNMWIWYKCUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClO/c26-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-16-18-24(19-17-22)27-23-14-8-3-9-15-23/h1-19H.
What are the key properties of 1-[chloro(diphenyl)methyl]-4-phenoxybenzene?
1-[chloro(diphenyl)methyl]-4-phenoxybenzene has a molecular weight of 370.88 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(diphenyl)methyl]-4-phenoxybenzene is sourced from PubChem (CID 15182049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).