4-[chloro(phenyl)methyl]-1,2-diethoxybenzene

C17H19ClO2 — CID 61080986

IUPAC4-[chloro(phenyl)methyl]-1,2-diethoxybenzene
SMILESCCOc1ccc(C(Cl)c2ccccc2)cc1OCC
InChIInChI=1S/C17H19ClO2/c1-3-19-15-11-10-14(12-16(15)20-4-2)17(18)13-8-6-5-7-9-13/h5-12,17H,3-4H2,1-2H3
InChIKeyVWPWRCSBSQXZOQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.81
Rot. Bonds6

About 4-[chloro(phenyl)methyl]-1,2-diethoxybenzene

4-[chloro(phenyl)methyl]-1,2-diethoxybenzene (PubChem CID 61080986) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-[chloro(phenyl)methyl]-1,2-diethoxybenzene.

Molecular Properties

Compound Name4-[chloro(phenyl)methyl]-1,2-diethoxybenzene
PubChem CID61080986
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name4-[chloro(phenyl)methyl]-1,2-diethoxybenzene
SMILESCCOc1ccc(C(Cl)c2ccccc2)cc1OCC
InChIInChI=1S/C17H19ClO2/c1-3-19-15-11-10-14(12-16(15)20-4-2)17(18)13-8-6-5-7-9-13/h5-12,17H,3-4H2,1-2H3
InChIKeyVWPWRCSBSQXZOQ-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.81
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

[(3,4-diethoxyphenyl)-phenylmethyl]azanium
CID 4712217
4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene
CID 55199459
2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan
CID 106688988
4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene
CID 61082919
4-(1-chloro-3-methylbutyl)-1,2-diethoxybenzene
CID 63433848
4-(1-bromo-2-phenylethyl)-1,2-diethoxybenzene
CID 63442286
2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene
CID 104661483
2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661595
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
4-(1-chloro-3,3,3-trifluoropropyl)-1,2-diethoxybenzene
CID 61084159
1-[chloro-(2-ethoxyphenyl)methyl]-4-propan-2-ylbenzene
CID 63435434
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(phenyl)methyl]-1,2-diethoxybenzene?
The IUPAC name of 4-[chloro(phenyl)methyl]-1,2-diethoxybenzene (CID 61080986) is 4-[chloro(phenyl)methyl]-1,2-diethoxybenzene.
What is the SMILES notation for 4-[chloro(phenyl)methyl]-1,2-diethoxybenzene?
The canonical SMILES for 4-[chloro(phenyl)methyl]-1,2-diethoxybenzene is CCOc1ccc(C(Cl)c2ccccc2)cc1OCC.
What is the InChIKey of 4-[chloro(phenyl)methyl]-1,2-diethoxybenzene?
The InChIKey is VWPWRCSBSQXZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-3-19-15-11-10-14(12-16(15)20-4-2)17(18)13-8-6-5-7-9-13/h5-12,17H,3-4H2,1-2H3.
What are the key properties of 4-[chloro(phenyl)methyl]-1,2-diethoxybenzene?
4-[chloro(phenyl)methyl]-1,2-diethoxybenzene has a molecular weight of 290.79 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(phenyl)methyl]-1,2-diethoxybenzene is sourced from PubChem (CID 61080986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).