2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene

C18H21ClO2 — CID 63432243

IUPAC2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene
SMILESCCCc1ccc(C(Cl)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H21ClO2/c1-4-5-13-6-8-14(9-7-13)18(19)16-12-15(20-2)10-11-17(16)21-3/h6-12,18H,4-5H2,1-3H3
InChIKeyJTVPBMSKVUFVCF-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.98
Rot. Bonds6

About 2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene

2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene (PubChem CID 63432243) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene
PubChem CID63432243
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene
SMILESCCCc1ccc(C(Cl)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H21ClO2/c1-4-5-13-6-8-14(9-7-13)18(19)16-12-15(20-2)10-11-17(16)21-3/h6-12,18H,4-5H2,1-3H3
InChIKeyJTVPBMSKVUFVCF-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
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-iodophenyl)methyl]-1,4-dimethoxybenzene
CID 63429406
2-[chloro-(4-fluorophenyl)methyl]-1,4-dimethoxybenzene
CID 61085947
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
CID 61087943
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene
CID 62504750
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-(1-chloropentyl)-1,4-dimethoxybenzene
CID 61084308
2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide
CID 62226434
1-[(4-butylphenyl)-chloromethyl]-4-chloro-2-methoxybenzene
CID 63431471
2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
CID 63429238
3-[chloro-(4-propylphenyl)methyl]-2,5-dimethylfuran
CID 63432646
1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene
CID 63440600

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene (CID 63432243) is 2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene is CCCc1ccc(C(Cl)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene?
The InChIKey is JTVPBMSKVUFVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-4-5-13-6-8-14(9-7-13)18(19)16-12-15(20-2)10-11-17(16)21-3/h6-12,18H,4-5H2,1-3H3.
What are the key properties of 2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene?
2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene has a molecular weight of 304.82 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 63432243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).