1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene

C15H15ClO — CID 139342224

IUPAC1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene
SMILESCOc1c(C)cccc1-c1ccc(Cl)cc1C
InChIInChI=1S/C15H15ClO/c1-10-5-4-6-14(15(10)17-3)13-8-7-12(16)9-11(13)2/h4-9H,1-3H3
InChIKeyPIVYFTUORQNHMG-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.63
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene

1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene (PubChem CID 139342224) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene
PubChem CID139342224
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene
SMILESCOc1c(C)cccc1-c1ccc(Cl)cc1C
InChIInChI=1S/C15H15ClO/c1-10-5-4-6-14(15(10)17-3)13-8-7-12(16)9-11(13)2/h4-9H,1-3H3
InChIKeyPIVYFTUORQNHMG-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene (CID 139342224) is 1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene is COc1c(C)cccc1-c1ccc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene?
The InChIKey is PIVYFTUORQNHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-10-5-4-6-14(15(10)17-3)13-8-7-12(16)9-11(13)2/h4-9H,1-3H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene?
1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene has a molecular weight of 246.74 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene is sourced from PubChem (CID 139342224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).