2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene

C15H23ClO — CID 66035867

IUPAC2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CC(CCl)CC(C)C
InChIInChI=1S/C15H23ClO/c1-11(2)7-13(10-16)9-14-8-12(3)5-6-15(14)17-4/h5-6,8,11,13H,7,9-10H2,1-4H3
InChIKeyAABGXIFJSVKKHX-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.45
Rot. Bonds6

About 2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene

2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene (PubChem CID 66035867) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene
PubChem CID66035867
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CC(CCl)CC(C)C
InChIInChI=1S/C15H23ClO/c1-11(2)7-13(10-16)9-14-8-12(3)5-6-15(14)17-4/h5-6,8,11,13H,7,9-10H2,1-4H3
InChIKeyAABGXIFJSVKKHX-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.45
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

1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 62717677
2-chloro-1-[2-(chloromethyl)-4-methylpentyl]-4-methylbenzene
CID 106870652
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene
CID 79418764
2-[(2-methoxy-5-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63496934
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
3-(2-methoxy-5-methylphenyl)-2-methylpropanal
CID 64666639
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
CID 63470462

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene (CID 66035867) is 2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene is COc1ccc(C)cc1CC(CCl)CC(C)C.
What is the InChIKey of 2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene?
The InChIKey is AABGXIFJSVKKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c1-11(2)7-13(10-16)9-14-8-12(3)5-6-15(14)17-4/h5-6,8,11,13H,7,9-10H2,1-4H3.
What are the key properties of 2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene?
2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene has a molecular weight of 254.80 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 66035867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).