1-chloro-2-[1-(2-methylphenoxy)propyl]benzene

C16H17ClO — CID 174455453

IUPAC1-chloro-2-[1-(2-methylphenoxy)propyl]benzene
SMILESCCC(Oc1ccccc1C)c1ccccc1Cl
InChIInChI=1S/C16H17ClO/c1-3-15(13-9-5-6-10-14(13)17)18-16-11-7-4-8-12(16)2/h4-11,15H,3H2,1-2H3
InChIKeyLKURDBSMJXHBMB-UHFFFAOYSA-N
MW260.76 g/mol
LogP5.18
Rot. Bonds4

About 1-chloro-2-[1-(2-methylphenoxy)propyl]benzene

1-chloro-2-[1-(2-methylphenoxy)propyl]benzene (PubChem CID 174455453) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-chloro-2-[1-(2-methylphenoxy)propyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[1-(2-methylphenoxy)propyl]benzene
PubChem CID174455453
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name1-chloro-2-[1-(2-methylphenoxy)propyl]benzene
SMILESCCC(Oc1ccccc1C)c1ccccc1Cl
InChIInChI=1S/C16H17ClO/c1-3-15(13-9-5-6-10-14(13)17)18-16-11-7-4-8-12(16)2/h4-11,15H,3H2,1-2H3
InChIKeyLKURDBSMJXHBMB-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.76
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
CID 175100899
2-(2,3-dichlorophenoxy)-2-(2-methylphenyl)ethanamine
CID 55018621
3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine
CID 67124192
2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine
CID 55022574
1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
CID 158048784
1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459761
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
(2R)-2-(2-methylphenoxy)butanoyl chloride
CID 51980370
3-[3-chloro-4-[1-(2-methylphenyl)propoxy]phenyl]-1,1-dimethylurea
CID 20566590
N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline
CID 54800392
[2-[2-amino-1-(2-chlorophenyl)ethoxy]phenyl]methanol
CID 63653081
3-chloro-4-methyl-N-[2-(2-methylphenoxy)butyl]aniline
CID 54797627

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-(2-methylphenoxy)propyl]benzene?
The IUPAC name of 1-chloro-2-[1-(2-methylphenoxy)propyl]benzene (CID 174455453) is 1-chloro-2-[1-(2-methylphenoxy)propyl]benzene.
What is the SMILES notation for 1-chloro-2-[1-(2-methylphenoxy)propyl]benzene?
The canonical SMILES for 1-chloro-2-[1-(2-methylphenoxy)propyl]benzene is CCC(Oc1ccccc1C)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[1-(2-methylphenoxy)propyl]benzene?
The InChIKey is LKURDBSMJXHBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-3-15(13-9-5-6-10-14(13)17)18-16-11-7-4-8-12(16)2/h4-11,15H,3H2,1-2H3.
What are the key properties of 1-chloro-2-[1-(2-methylphenoxy)propyl]benzene?
1-chloro-2-[1-(2-methylphenoxy)propyl]benzene has a molecular weight of 260.76 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-(2-methylphenoxy)propyl]benzene is sourced from PubChem (CID 174455453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).