1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene

C17H19ClO3 — CID 129363855

IUPAC1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene
SMILESCOCCOCOc1cccc([C@H](Cl)c2ccccc2)c1
InChIInChI=1S/C17H19ClO3/c1-19-10-11-20-13-21-16-9-5-8-15(12-16)17(18)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3/t17-/m1/s1
InChIKeyNZYWJAMXBNNAPD-QGZVFWFLSA-N
MW306.79 g/mol
LogP4.01
Rot. Bonds8

About 1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene

1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene (PubChem CID 129363855) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene.

Molecular Properties

Compound Name1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene
PubChem CID129363855
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene
SMILESCOCCOCOc1cccc([C@H](Cl)c2ccccc2)c1
InChIInChI=1S/C17H19ClO3/c1-19-10-11-20-13-21-16-9-5-8-15(12-16)17(18)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3/t17-/m1/s1
InChIKeyNZYWJAMXBNNAPD-QGZVFWFLSA-N
XLogP4.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.01
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-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene
CID 10738710
1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol
CID 76530110
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1-[3-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939820
2-chloro-4-[chloro-(3-propoxyphenyl)methyl]-1-methoxybenzene
CID 63428664
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
4-[chloro-(3-propoxyphenyl)methyl]-1,2-difluorobenzene
CID 63431622
3-amino-3-[3-(methoxymethoxy)phenyl]propanoic acid
CID 53417363
1-but-3-en-2-yl-3-(2-methoxyethoxy)benzene
CID 57136010

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene?
The IUPAC name of 1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene (CID 129363855) is 1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene.
What is the SMILES notation for 1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene?
The canonical SMILES for 1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene is COCCOCOc1cccc([C@H](Cl)c2ccccc2)c1.
What is the InChIKey of 1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene?
The InChIKey is NZYWJAMXBNNAPD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-19-10-11-20-13-21-16-9-5-8-15(12-16)17(18)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene?
1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene has a molecular weight of 306.79 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene is sourced from PubChem (CID 129363855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).