1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene

C23H23ClO3 — CID 10738710

IUPAC1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene
SMILESCOCCOCOc1cccc(C(Cl)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H23ClO3/c1-25-14-15-26-17-27-22-9-5-8-21(16-22)23(24)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13,16,23H,14-15,17H2,1H3
InChIKeyQYWWDCBXIXDYRP-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.68
Rot. Bonds9

About 1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene

1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene (PubChem CID 10738710) has the molecular formula C23H23ClO3 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene
PubChem CID10738710
Molecular FormulaC23H23ClO3
Molecular Weight382.89 g/mol
Exact Mass382.13
IUPAC Name1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene
SMILESCOCCOCOc1cccc(C(Cl)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H23ClO3/c1-25-14-15-26-17-27-22-9-5-8-21(16-22)23(24)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13,16,23H,14-15,17H2,1H3
InChIKeyQYWWDCBXIXDYRP-UHFFFAOYSA-N
XLogP5.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene
CID 129363855
1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol
CID 76530110
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
CID 91316664
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-(2-methoxyethoxy)-6-phenylnaphthalene
CID 139902348
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
2-chloro-4-[chloro-(3-propoxyphenyl)methyl]-1-methoxybenzene
CID 63428664
4-[chloro-(3-propoxyphenyl)methyl]-1,2-difluorobenzene
CID 63431622
1-bromo-4-[chloro-(3-propan-2-yloxyphenyl)methyl]benzene
CID 63428597
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene?
The IUPAC name of 1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene (CID 10738710) is 1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene.
What is the SMILES notation for 1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene?
The canonical SMILES for 1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene is COCCOCOc1cccc(C(Cl)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene?
The InChIKey is QYWWDCBXIXDYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClO3/c1-25-14-15-26-17-27-22-9-5-8-21(16-22)23(24)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13,16,23H,14-15,17H2,1H3.
What are the key properties of 1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene?
1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene has a molecular weight of 382.89 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene is sourced from PubChem (CID 10738710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).