1-chloro-4-(3-methylphenoxy)benzene;yttrium

C13H11ClOY — CID 159299201

IUPAC1-chloro-4-(3-methylphenoxy)benzene;yttrium
SMILESCc1cccc(Oc2ccc(Cl)cc2)c1.[Y]
InChIInChI=1S/C13H11ClO.Y/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12;/h2-9H,1H3;
InChIKeyJTMUBAWQZBYDQX-UHFFFAOYSA-N
MW307.59 g/mol
LogP4.44
Rot. Bonds2

About 1-chloro-4-(3-methylphenoxy)benzene;yttrium

1-chloro-4-(3-methylphenoxy)benzene;yttrium (PubChem CID 159299201) has the molecular formula C13H11ClOY and a molecular weight of 307.59 g/mol. Its IUPAC name is 1-chloro-4-(3-methylphenoxy)benzene;yttrium.

Molecular Properties

Compound Name1-chloro-4-(3-methylphenoxy)benzene;yttrium
PubChem CID159299201
Molecular FormulaC13H11ClOY
Molecular Weight307.59 g/mol
Exact Mass306.96
IUPAC Name1-chloro-4-(3-methylphenoxy)benzene;yttrium
SMILESCc1cccc(Oc2ccc(Cl)cc2)c1.[Y]
InChIInChI=1S/C13H11ClO.Y/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12;/h2-9H,1H3;
InChIKeyJTMUBAWQZBYDQX-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.59
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-4-(3-methylphenoxy)benzene;yttrium 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

1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
CID 91481927
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866
2-chloro-4-(3-methylphenoxy)aniline
CID 106701509
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
[4-(3-methylphenoxy)phenyl]hydrazine
CID 69023705
bis(4-chlorophenyl) (3-methylphenyl) phosphate
CID 6426541
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1,4-bis(4-chlorophenoxy)benzene
CID 10996522

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-methylphenoxy)benzene;yttrium?
The IUPAC name of 1-chloro-4-(3-methylphenoxy)benzene;yttrium (CID 159299201) is 1-chloro-4-(3-methylphenoxy)benzene;yttrium.
What is the SMILES notation for 1-chloro-4-(3-methylphenoxy)benzene;yttrium?
The canonical SMILES for 1-chloro-4-(3-methylphenoxy)benzene;yttrium is Cc1cccc(Oc2ccc(Cl)cc2)c1.[Y].
What is the InChIKey of 1-chloro-4-(3-methylphenoxy)benzene;yttrium?
The InChIKey is JTMUBAWQZBYDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO.Y/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12;/h2-9H,1H3;.
What are the key properties of 1-chloro-4-(3-methylphenoxy)benzene;yttrium?
1-chloro-4-(3-methylphenoxy)benzene;yttrium has a molecular weight of 307.59 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-methylphenoxy)benzene;yttrium is sourced from PubChem (CID 159299201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).