5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene

C19H23ClO — CID 83044402

IUPAC5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(Cl)Cc2cc(C)ccc2C)cc1C
InChIInChI=1S/C19H23ClO/c1-12-6-7-13(2)16(8-12)11-18(20)17-9-14(3)19(21-5)15(4)10-17/h6-10,18H,11H2,1-5H3
InChIKeyHZWMYVJFBUICMS-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.45
Rot. Bonds4

About 5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene

5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene (PubChem CID 83044402) has the molecular formula C19H23ClO and a molecular weight of 302.85 g/mol. Its IUPAC name is 5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
PubChem CID83044402
Molecular FormulaC19H23ClO
Molecular Weight302.85 g/mol
Exact Mass302.14
IUPAC Name5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(Cl)Cc2cc(C)ccc2C)cc1C
InChIInChI=1S/C19H23ClO/c1-12-6-7-13(2)16(8-12)11-18(20)17-9-14(3)19(21-5)15(4)10-17/h6-10,18H,11H2,1-5H3
InChIKeyHZWMYVJFBUICMS-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.45
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

1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
CID 63543209
2-[2-(4-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55219227
2-[2-chloro-2-(4-iodophenyl)ethyl]-1,4-dimethylbenzene
CID 55224453
2-[2-chloro-2-(3-fluoro-4-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 55224644
5-[1-chloro-2-(4-fluorophenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
CID 83067979
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
2-[2-chloro-2-(3-iodophenyl)ethyl]-1,4-dimethylbenzene
CID 63544772
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
CID 63429457
2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene
CID 81129061
2-[2-chloro-2-[3-(difluoromethoxy)phenyl]ethyl]-1,4-dimethylbenzene
CID 63542173
6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63430990
2-[2-(5-bromo-2-fluorophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 63544422

Frequently Asked Questions

What is the IUPAC name of 5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene?
The IUPAC name of 5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene (CID 83044402) is 5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene.
What is the SMILES notation for 5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene?
The canonical SMILES for 5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene is COc1c(C)cc(C(Cl)Cc2cc(C)ccc2C)cc1C.
What is the InChIKey of 5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene?
The InChIKey is HZWMYVJFBUICMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO/c1-12-6-7-13(2)16(8-12)11-18(20)17-9-14(3)19(21-5)15(4)10-17/h6-10,18H,11H2,1-5H3.
What are the key properties of 5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene?
5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene has a molecular weight of 302.85 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene is sourced from PubChem (CID 83044402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).