4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene

C14H21ClO — CID 63434238

IUPAC4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene
SMILESCCCC(C)C(Cl)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H21ClO/c1-5-6-10(2)14(15)12-7-8-13(16-4)11(3)9-12/h7-10,14H,5-6H2,1-4H3
InChIKeyRMMRVBQLSBQGAV-UHFFFAOYSA-N
MW240.77 g/mol
LogP4.72
Rot. Bonds5

About 4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene

4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene (PubChem CID 63434238) has the molecular formula C14H21ClO and a molecular weight of 240.77 g/mol. Its IUPAC name is 4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene.

Molecular Properties

Compound Name4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene
PubChem CID63434238
Molecular FormulaC14H21ClO
Molecular Weight240.77 g/mol
Exact Mass240.13
IUPAC Name4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene
SMILESCCCC(C)C(Cl)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H21ClO/c1-5-6-10(2)14(15)12-7-8-13(16-4)11(3)9-12/h7-10,14H,5-6H2,1-4H3
InChIKeyRMMRVBQLSBQGAV-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloroethyl)-1-methoxy-2-methylbenzene
CID 61084240
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
4-chloro-2-(1-chloro-2-methylpentyl)-1-methoxybenzene
CID 104546269
4-(1-chloro-2-methylbutyl)-2-fluoro-1-methoxybenzene
CID 61083454
2-(1-chloro-2-methylpentyl)-4-fluoro-1-methoxybenzene
CID 63432919
N-[2-chloro-2-(4-methoxy-3-methylphenyl)ethyl]-N-propylpropan-1-amine
CID 82214749
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
1-chloro-4-(1-chloro-2-methylpentyl)benzene
CID 63429099

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene?
The IUPAC name of 4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene (CID 63434238) is 4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene.
What is the SMILES notation for 4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene?
The canonical SMILES for 4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene is CCCC(C)C(Cl)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene?
The InChIKey is RMMRVBQLSBQGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO/c1-5-6-10(2)14(15)12-7-8-13(16-4)11(3)9-12/h7-10,14H,5-6H2,1-4H3.
What are the key properties of 4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene?
4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene has a molecular weight of 240.77 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene is sourced from PubChem (CID 63434238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).