4-chloro-2-methyl-1-(4-methylpentoxy)benzene

C13H19ClO — CID 151139968

IUPAC4-chloro-2-methyl-1-(4-methylpentoxy)benzene
SMILESCc1cc(Cl)ccc1OCCCC(C)C
InChIInChI=1S/C13H19ClO/c1-10(2)5-4-8-15-13-7-6-12(14)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyMVZIIQLTJKMQCN-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.46
Rot. Bonds5

About 4-chloro-2-methyl-1-(4-methylpentoxy)benzene

4-chloro-2-methyl-1-(4-methylpentoxy)benzene (PubChem CID 151139968) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-(4-methylpentoxy)benzene.

Molecular Properties

Compound Name4-chloro-2-methyl-1-(4-methylpentoxy)benzene
PubChem CID151139968
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name4-chloro-2-methyl-1-(4-methylpentoxy)benzene
SMILESCc1cc(Cl)ccc1OCCCC(C)C
InChIInChI=1S/C13H19ClO/c1-10(2)5-4-8-15-13-7-6-12(14)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyMVZIIQLTJKMQCN-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
CID 83168738
4-bromo-2-methyl-1-(4-methylpentoxy)benzene
CID 83156668
4-chloro-1-iodo-2-(4-methylpentoxy)benzene
CID 142659271
5-O-(4-chloro-2-methylphenyl) 1-O-(4-methylpentyl) pentanedioate
CID 91706893
5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol
CID 23315448
3-[3-(4-chloro-2-methylphenoxy)propoxy]propan-1-amine
CID 82353373
1-(4-chloro-2-methylphenoxy)-4-methylpentan-3-one
CID 92931875
N-[2-(4-chloro-2-methylphenoxy)ethyl]heptan-2-amine
CID 63506416
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-(4-methylpentoxy)benzene?
The IUPAC name of 4-chloro-2-methyl-1-(4-methylpentoxy)benzene (CID 151139968) is 4-chloro-2-methyl-1-(4-methylpentoxy)benzene.
What is the SMILES notation for 4-chloro-2-methyl-1-(4-methylpentoxy)benzene?
The canonical SMILES for 4-chloro-2-methyl-1-(4-methylpentoxy)benzene is Cc1cc(Cl)ccc1OCCCC(C)C.
What is the InChIKey of 4-chloro-2-methyl-1-(4-methylpentoxy)benzene?
The InChIKey is MVZIIQLTJKMQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-10(2)5-4-8-15-13-7-6-12(14)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-1-(4-methylpentoxy)benzene?
4-chloro-2-methyl-1-(4-methylpentoxy)benzene has a molecular weight of 226.75 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1-(4-methylpentoxy)benzene is sourced from PubChem (CID 151139968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).