1-(7-methoxyheptyl)-3-methylbenzene

C15H24O — CID 70248389

IUPAC1-(7-methoxyheptyl)-3-methylbenzene
SMILESCOCCCCCCCc1cccc(C)c1
InChIInChI=1S/C15H24O/c1-14-9-8-11-15(13-14)10-6-4-3-5-7-12-16-2/h8-9,11,13H,3-7,10,12H2,1-2H3
InChIKeyQKUZXBUGVCNRNC-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.13
Rot. Bonds8

About 1-(7-methoxyheptyl)-3-methylbenzene

1-(7-methoxyheptyl)-3-methylbenzene (PubChem CID 70248389) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(7-methoxyheptyl)-3-methylbenzene.

Molecular Properties

Compound Name1-(7-methoxyheptyl)-3-methylbenzene
PubChem CID70248389
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(7-methoxyheptyl)-3-methylbenzene
SMILESCOCCCCCCCc1cccc(C)c1
InChIInChI=1S/C15H24O/c1-14-9-8-11-15(13-14)10-6-4-3-5-7-12-16-2/h8-9,11,13H,3-7,10,12H2,1-2H3
InChIKeyQKUZXBUGVCNRNC-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.13
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

1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
7-methoxyheptylbenzene
CID 54276867
ethane;1-methyl-3-pentylbenzene
CID 143267779
1-bromo-4-[9-(3-methylphenyl)nonyl]benzene
CID 123837284
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
3-(3-methylphenyl)propan-1-amine
CID 12666388
1-(bromomethyl)-3-(3-methoxypropyl)benzene
CID 59382337
3-[8-(3-methylphenyl)octyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 58151344
1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
CID 90949774
2-methyl-8-(3-methylphenyl)octan-2-ol
CID 143822225
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxyheptyl)-3-methylbenzene?
The IUPAC name of 1-(7-methoxyheptyl)-3-methylbenzene (CID 70248389) is 1-(7-methoxyheptyl)-3-methylbenzene.
What is the SMILES notation for 1-(7-methoxyheptyl)-3-methylbenzene?
The canonical SMILES for 1-(7-methoxyheptyl)-3-methylbenzene is COCCCCCCCc1cccc(C)c1.
What is the InChIKey of 1-(7-methoxyheptyl)-3-methylbenzene?
The InChIKey is QKUZXBUGVCNRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-14-9-8-11-15(13-14)10-6-4-3-5-7-12-16-2/h8-9,11,13H,3-7,10,12H2,1-2H3.
What are the key properties of 1-(7-methoxyheptyl)-3-methylbenzene?
1-(7-methoxyheptyl)-3-methylbenzene has a molecular weight of 220.36 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxyheptyl)-3-methylbenzene is sourced from PubChem (CID 70248389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).