1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene

C22H29ClO2 — CID 88767616

IUPAC1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
SMILESCOc1c(C)cc(C(CCl)c2cc(C)c(OC)c(C)c2C)c(C)c1C
InChIInChI=1S/C22H29ClO2/c1-12-9-18(14(3)16(5)21(12)24-7)20(11-23)19-10-13(2)22(25-8)17(6)15(19)4/h9-10,20H,11H2,1-8H3
InChIKeyVDBYGKHXUKHEPK-UHFFFAOYSA-N
MW360.93 g/mol
LogP5.93
Rot. Bonds5

About 1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene

1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene (PubChem CID 88767616) has the molecular formula C22H29ClO2 and a molecular weight of 360.93 g/mol. Its IUPAC name is 1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
PubChem CID88767616
Molecular FormulaC22H29ClO2
Molecular Weight360.93 g/mol
Exact Mass360.19
IUPAC Name1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
SMILESCOc1c(C)cc(C(CCl)c2cc(C)c(OC)c(C)c2C)c(C)c1C
InChIInChI=1S/C22H29ClO2/c1-12-9-18(14(3)16(5)21(12)24-7)20(11-23)19-10-13(2)22(25-8)17(6)15(19)4/h9-10,20H,11H2,1-8H3
InChIKeyVDBYGKHXUKHEPK-UHFFFAOYSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.93
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
CID 116961496
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
CID 116830198
[(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane
CID 87085516
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 82297222
(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol
CID 116954672
1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine
CID 116934191
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934631
2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid
CID 82480271
1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904827

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene?
The IUPAC name of 1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene (CID 88767616) is 1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene.
What is the SMILES notation for 1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene?
The canonical SMILES for 1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene is COc1c(C)cc(C(CCl)c2cc(C)c(OC)c(C)c2C)c(C)c1C.
What is the InChIKey of 1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene?
The InChIKey is VDBYGKHXUKHEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClO2/c1-12-9-18(14(3)16(5)21(12)24-7)20(11-23)19-10-13(2)22(25-8)17(6)15(19)4/h9-10,20H,11H2,1-8H3.
What are the key properties of 1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene?
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene has a molecular weight of 360.93 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene is sourced from PubChem (CID 88767616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).