2-(1-chlorodecyl)-1-methoxy-4-methylbenzene

C18H29ClO — CID 65428310

IUPAC2-(1-chlorodecyl)-1-methoxy-4-methylbenzene
SMILESCCCCCCCCCC(Cl)c1cc(C)ccc1OC
InChIInChI=1S/C18H29ClO/c1-4-5-6-7-8-9-10-11-17(19)16-14-15(2)12-13-18(16)20-3/h12-14,17H,4-11H2,1-3H3
InChIKeyUACZLKXIQZGPKP-UHFFFAOYSA-N
MW296.88 g/mol
LogP6.42
Rot. Bonds10

About 2-(1-chlorodecyl)-1-methoxy-4-methylbenzene

2-(1-chlorodecyl)-1-methoxy-4-methylbenzene (PubChem CID 65428310) has the molecular formula C18H29ClO and a molecular weight of 296.88 g/mol. Its IUPAC name is 2-(1-chlorodecyl)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(1-chlorodecyl)-1-methoxy-4-methylbenzene
PubChem CID65428310
Molecular FormulaC18H29ClO
Molecular Weight296.88 g/mol
Exact Mass296.19
IUPAC Name2-(1-chlorodecyl)-1-methoxy-4-methylbenzene
SMILESCCCCCCCCCC(Cl)c1cc(C)ccc1OC
InChIInChI=1S/C18H29ClO/c1-4-5-6-7-8-9-10-11-17(19)16-14-15(2)12-13-18(16)20-3/h12-14,17H,4-11H2,1-3H3
InChIKeyUACZLKXIQZGPKP-UHFFFAOYSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.88
LogP ≤ 56.42
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-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
1-(1-chlorooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63435046
2-(1-chloropentyl)-1,4-dimethoxybenzene
CID 61084308
N-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutan-1-amine
CID 82214740
1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1-bromo-4-(1-chlorohexyl)-2,5-dimethoxybenzene
CID 105057265
1-(2-methoxy-4-methylphenyl)undecan-1-amine
CID 106791391
1-(1-chlorooctyl)-4-methoxy-2-methylbenzene
CID 63429941
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467

Frequently Asked Questions

What is the IUPAC name of 2-(1-chlorodecyl)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-(1-chlorodecyl)-1-methoxy-4-methylbenzene (CID 65428310) is 2-(1-chlorodecyl)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(1-chlorodecyl)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(1-chlorodecyl)-1-methoxy-4-methylbenzene is CCCCCCCCCC(Cl)c1cc(C)ccc1OC.
What is the InChIKey of 2-(1-chlorodecyl)-1-methoxy-4-methylbenzene?
The InChIKey is UACZLKXIQZGPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClO/c1-4-5-6-7-8-9-10-11-17(19)16-14-15(2)12-13-18(16)20-3/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 2-(1-chlorodecyl)-1-methoxy-4-methylbenzene?
2-(1-chlorodecyl)-1-methoxy-4-methylbenzene has a molecular weight of 296.88 g/mol, XLogP of 6.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chlorodecyl)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 65428310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).