[4-(chloromethyl)-6-methylheptoxy]benzene

C15H23ClO — CID 66033410

IUPAC[4-(chloromethyl)-6-methylheptoxy]benzene
SMILESCC(C)CC(CCl)CCCOc1ccccc1
InChIInChI=1S/C15H23ClO/c1-13(2)11-14(12-16)7-6-10-17-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3
InChIKeyOIIDYWBAGLCOOM-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.75
Rot. Bonds8

About [4-(chloromethyl)-6-methylheptoxy]benzene

[4-(chloromethyl)-6-methylheptoxy]benzene (PubChem CID 66033410) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is [4-(chloromethyl)-6-methylheptoxy]benzene.

Molecular Properties

Compound Name[4-(chloromethyl)-6-methylheptoxy]benzene
PubChem CID66033410
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name[4-(chloromethyl)-6-methylheptoxy]benzene
SMILESCC(C)CC(CCl)CCCOc1ccccc1
InChIInChI=1S/C15H23ClO/c1-13(2)11-14(12-16)7-6-10-17-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3
InChIKeyOIIDYWBAGLCOOM-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(chloromethyl)-5-phenoxypentyl]-4-methylbenzene
CID 66034582
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
CID 62936468
N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62529307
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
3-propan-2-ylsulfanylpropoxybenzene
CID 30619859
N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62530501
1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-6-methylheptoxy]benzene?
The IUPAC name of [4-(chloromethyl)-6-methylheptoxy]benzene (CID 66033410) is [4-(chloromethyl)-6-methylheptoxy]benzene.
What is the SMILES notation for [4-(chloromethyl)-6-methylheptoxy]benzene?
The canonical SMILES for [4-(chloromethyl)-6-methylheptoxy]benzene is CC(C)CC(CCl)CCCOc1ccccc1.
What is the InChIKey of [4-(chloromethyl)-6-methylheptoxy]benzene?
The InChIKey is OIIDYWBAGLCOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c1-13(2)11-14(12-16)7-6-10-17-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3.
What are the key properties of [4-(chloromethyl)-6-methylheptoxy]benzene?
[4-(chloromethyl)-6-methylheptoxy]benzene has a molecular weight of 254.80 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-6-methylheptoxy]benzene is sourced from PubChem (CID 66033410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).