5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene

C14H21ClO — CID 83068458

IUPAC5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(C)(C)CCCl)cc1C
InChIInChI=1S/C14H21ClO/c1-10-8-12(14(3,4)6-7-15)9-11(2)13(10)16-5/h8-9H,6-7H2,1-5H3
InChIKeyGYJFABYTIJPCBA-UHFFFAOYSA-N
MW240.77 g/mol
LogP4.22
Rot. Bonds4

About 5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene

5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene (PubChem CID 83068458) has the molecular formula C14H21ClO and a molecular weight of 240.77 g/mol. Its IUPAC name is 5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene
PubChem CID83068458
Molecular FormulaC14H21ClO
Molecular Weight240.77 g/mol
Exact Mass240.13
IUPAC Name5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(C)(C)CCCl)cc1C
InChIInChI=1S/C14H21ClO/c1-10-8-12(14(3,4)6-7-15)9-11(2)13(10)16-5/h8-9H,6-7H2,1-5H3
InChIKeyGYJFABYTIJPCBA-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 54.22
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

N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine
CID 83068383
[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]carbamothioic S-acid
CID 115170590
3-(3-bromo-4-methoxy-5-methylphenyl)-3-methylbutanoic acid
CID 117485174
2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130700
3-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231394
2-amino-N-[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115151864
(E)-1-chloro-4-(4-methoxy-3,5-dimethylphenyl)but-3-en-2-one
CID 83056822
1-chloro-2-(4-chloro-2-methylbutan-2-yl)-4,5-dimethylbenzene
CID 115485114
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
5-tert-butyl-2-methoxy-3-methylaniline
CID 21353746
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene?
The IUPAC name of 5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene (CID 83068458) is 5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene.
What is the SMILES notation for 5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene?
The canonical SMILES for 5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene is COc1c(C)cc(C(C)(C)CCCl)cc1C.
What is the InChIKey of 5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene?
The InChIKey is GYJFABYTIJPCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO/c1-10-8-12(14(3,4)6-7-15)9-11(2)13(10)16-5/h8-9H,6-7H2,1-5H3.
What are the key properties of 5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene?
5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene has a molecular weight of 240.77 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene is sourced from PubChem (CID 83068458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).