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

C17H19ClO3 — CID 61082919

IUPAC4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene
SMILESCCOc1ccc(C(Cl)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H19ClO3/c1-4-21-14-8-5-12(6-9-14)17(18)13-7-10-15(19-2)16(11-13)20-3/h5-11,17H,4H2,1-3H3
InChIKeyOILPRJRQKLEWDF-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.43
Rot. Bonds6

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

4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene (PubChem CID 61082919) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene
PubChem CID61082919
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene
SMILESCCOc1ccc(C(Cl)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H19ClO3/c1-4-21-14-8-5-12(6-9-14)17(18)13-7-10-15(19-2)16(11-13)20-3/h5-11,17H,4H2,1-3H3
InChIKeyOILPRJRQKLEWDF-UHFFFAOYSA-N
XLogP4.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride
CID 23004771
4-[chloro(phenyl)methyl]-1,2-diethoxybenzene
CID 61080986
5-[chloro-(4-ethoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63429318
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
CID 140923051
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431022
1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol
CID 134831013
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 90613607
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
2-bromo-4-[chloro-(3,4-dimethoxyphenyl)methyl]-1-methylbenzene
CID 81476083

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene (CID 61082919) is 4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene is CCOc1ccc(C(Cl)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene?
The InChIKey is OILPRJRQKLEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-4-21-14-8-5-12(6-9-14)17(18)13-7-10-15(19-2)16(11-13)20-3/h5-11,17H,4H2,1-3H3.
What are the key properties of 4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene?
4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene has a molecular weight of 306.79 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 61082919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).