1-methyl-3-phenoxybenzene;hydrochloride

C13H13ClO — CID 175116002

IUPAC1-methyl-3-phenoxybenzene;hydrochloride
SMILESCc1cccc(Oc2ccccc2)c1.Cl
InChIInChI=1S/C13H12O.ClH/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12;/h2-10H,1H3;1H
InChIKeyDSOLLUWGQORIKF-UHFFFAOYSA-N
MW220.70 g/mol
LogP4.21
Rot. Bonds2

About 1-methyl-3-phenoxybenzene;hydrochloride

1-methyl-3-phenoxybenzene;hydrochloride (PubChem CID 175116002) has the molecular formula C13H13ClO and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-methyl-3-phenoxybenzene;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-phenoxybenzene;hydrochloride
PubChem CID175116002
Molecular FormulaC13H13ClO
Molecular Weight220.70 g/mol
Exact Mass220.07
IUPAC Name1-methyl-3-phenoxybenzene;hydrochloride
SMILESCc1cccc(Oc2ccccc2)c1.Cl
InChIInChI=1S/C13H12O.ClH/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12;/h2-10H,1H3;1H
InChIKeyDSOLLUWGQORIKF-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylaniline;1-methyl-3-phenoxybenzene
CID 144834027
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
CID 134391841
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
[4-(3-methylphenoxy)phenyl]hydrazine
CID 69023705
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
2-(3-methylphenoxy)phenol
CID 22051950
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenoxybenzene;hydrochloride?
The IUPAC name of 1-methyl-3-phenoxybenzene;hydrochloride (CID 175116002) is 1-methyl-3-phenoxybenzene;hydrochloride.
What is the SMILES notation for 1-methyl-3-phenoxybenzene;hydrochloride?
The canonical SMILES for 1-methyl-3-phenoxybenzene;hydrochloride is Cc1cccc(Oc2ccccc2)c1.Cl.
What is the InChIKey of 1-methyl-3-phenoxybenzene;hydrochloride?
The InChIKey is DSOLLUWGQORIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.ClH/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12;/h2-10H,1H3;1H.
What are the key properties of 1-methyl-3-phenoxybenzene;hydrochloride?
1-methyl-3-phenoxybenzene;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenoxybenzene;hydrochloride is sourced from PubChem (CID 175116002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).