1-(chloromethoxy)-2,3-diphenylbenzene

C19H15ClO — CID 89147596

IUPAC1-(chloromethoxy)-2,3-diphenylbenzene
SMILESClCOc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H15ClO/c20-14-21-18-13-7-12-17(15-8-3-1-4-9-15)19(18)16-10-5-2-6-11-16/h1-13H,14H2
InChIKeyTYDUYNKUIZRTPT-UHFFFAOYSA-N
MW294.78 g/mol
LogP5.60
Rot. Bonds4

About 1-(chloromethoxy)-2,3-diphenylbenzene

1-(chloromethoxy)-2,3-diphenylbenzene (PubChem CID 89147596) has the molecular formula C19H15ClO and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(chloromethoxy)-2,3-diphenylbenzene.

Molecular Properties

Compound Name1-(chloromethoxy)-2,3-diphenylbenzene
PubChem CID89147596
Molecular FormulaC19H15ClO
Molecular Weight294.78 g/mol
Exact Mass294.08
IUPAC Name1-(chloromethoxy)-2,3-diphenylbenzene
SMILESClCOc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H15ClO/c20-14-21-18-13-7-12-17(15-8-3-1-4-9-15)19(18)16-10-5-2-6-11-16/h1-13H,14H2
InChIKeyTYDUYNKUIZRTPT-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.78
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-heptoxy-2,3-diphenylbenzene
CID 91223664
CID 87643129
CID 87643129
2-(2,3-diphenylphenoxy)phenol
CID 66866690
1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
CID 141041687
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
(2R)-1-chloro-3-(2-phenylphenoxy)propan-2-ol
CID 124571669
2-(3-methoxy-2-phenylphenoxy)ethanol
CID 91364527
1-(chloromethoxy)-2-methoxybenzene
CID 12696124
1,2-diphenyl-3-(trichloromethyl)benzene
CID 175404490
1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
CID 173271826
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
tetrakis(4-tert-butylphenyl)-(2,3-diphenylphenoxy)-λ5-phosphane
CID 140524404

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethoxy)-2,3-diphenylbenzene?
The IUPAC name of 1-(chloromethoxy)-2,3-diphenylbenzene (CID 89147596) is 1-(chloromethoxy)-2,3-diphenylbenzene.
What is the SMILES notation for 1-(chloromethoxy)-2,3-diphenylbenzene?
The canonical SMILES for 1-(chloromethoxy)-2,3-diphenylbenzene is ClCOc1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(chloromethoxy)-2,3-diphenylbenzene?
The InChIKey is TYDUYNKUIZRTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO/c20-14-21-18-13-7-12-17(15-8-3-1-4-9-15)19(18)16-10-5-2-6-11-16/h1-13H,14H2.
What are the key properties of 1-(chloromethoxy)-2,3-diphenylbenzene?
1-(chloromethoxy)-2,3-diphenylbenzene has a molecular weight of 294.78 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxy)-2,3-diphenylbenzene is sourced from PubChem (CID 89147596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).