2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene

C18H21ClO — CID 79418764

IUPAC2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CC(CCl)c1ccccc1C
InChIInChI=1S/C18H21ClO/c1-13-8-9-18(20-3)15(10-13)11-16(12-19)17-7-5-4-6-14(17)2/h4-10,16H,11-12H2,1-3H3
InChIKeyFDPWPDXYUBVVFC-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.88
Rot. Bonds5

About 2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene

2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene (PubChem CID 79418764) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene
PubChem CID79418764
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CC(CCl)c1ccccc1C
InChIInChI=1S/C18H21ClO/c1-13-8-9-18(20-3)15(10-13)11-16(12-19)17-7-5-4-6-14(17)2/h4-10,16H,11-12H2,1-3H3
InChIKeyFDPWPDXYUBVVFC-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.88
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

4-chloro-2-[3-chloro-2-(2-fluorophenyl)propyl]-1-methoxybenzene
CID 79454294
4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene
CID 79419172
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
1-chloro-2-[3-chloro-2-(2-methylphenyl)propyl]benzene
CID 79419089
1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene
CID 79417395
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene
CID 66035867
1-(2-aminophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64833173
[1-(2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105211135
1-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]-2-methylbenzene
CID 79424438
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63443300

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene (CID 79418764) is 2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene is COc1ccc(C)cc1CC(CCl)c1ccccc1C.
What is the InChIKey of 2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene?
The InChIKey is FDPWPDXYUBVVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-13-8-9-18(20-3)15(10-13)11-16(12-19)17-7-5-4-6-14(17)2/h4-10,16H,11-12H2,1-3H3.
What are the key properties of 2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene?
2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene has a molecular weight of 288.82 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 79418764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).