2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene

C18H21ClO2 — CID 62504750

IUPAC2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene
SMILESCOCCc1ccc(C(Cl)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H21ClO2/c1-13-4-9-17(21-3)16(12-13)18(19)15-7-5-14(6-8-15)10-11-20-2/h4-9,12,18H,10-11H2,1-3H3
InChIKeySAJORXSDILBYNU-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.52
Rot. Bonds6

About 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene

2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene (PubChem CID 62504750) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene
PubChem CID62504750
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene
SMILESCOCCc1ccc(C(Cl)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H21ClO2/c1-13-4-9-17(21-3)16(12-13)18(19)15-7-5-14(6-8-15)10-11-20-2/h4-9,12,18H,10-11H2,1-3H3
InChIKeySAJORXSDILBYNU-UHFFFAOYSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.52
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

2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene
CID 63429785
2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene
CID 63432243
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene
CID 81123904
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
CID 63434490
2-[chloro-(3-iodophenyl)methyl]-1-methoxy-4-methylbenzene
CID 63435254
1-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]-3-methylbenzene
CID 63429653
4-bromo-1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-2-fluorobenzene
CID 63429439
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-bromo-2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-4-methylbenzene
CID 81111868
1-[chloro-(3,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 61081551
1-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-4-methylbenzene
CID 81112019
1-[4-(2-methoxyethyl)phenyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482394

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene (CID 62504750) is 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene is COCCc1ccc(C(Cl)c2cc(C)ccc2OC)cc1.
What is the InChIKey of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene?
The InChIKey is SAJORXSDILBYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-13-4-9-17(21-3)16(12-13)18(19)15-7-5-14(6-8-15)10-11-20-2/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene?
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene has a molecular weight of 304.82 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 62504750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).