methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate

C23H21ClO4 — CID 22241525

IUPACmethyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1COc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H21ClO4/c1-16-5-3-6-18(22(16)23(25)26-2)15-28-21-8-4-7-20(13-21)27-14-17-9-11-19(24)12-10-17/h3-13H,14-15H2,1-2H3
InChIKeyOXEWWNLHWUQWET-UHFFFAOYSA-N
MW396.87 g/mol
LogP5.59
Rot. Bonds7

About methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate

methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate (PubChem CID 22241525) has the molecular formula C23H21ClO4 and a molecular weight of 396.87 g/mol. Its IUPAC name is methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
PubChem CID22241525
Molecular FormulaC23H21ClO4
Molecular Weight396.87 g/mol
Exact Mass396.11
IUPAC Namemethyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1COc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H21ClO4/c1-16-5-3-6-18(22(16)23(25)26-2)15-28-21-8-4-7-20(13-21)27-14-17-9-11-19(24)12-10-17/h3-13H,14-15H2,1-2H3
InChIKeyOXEWWNLHWUQWET-UHFFFAOYSA-N
XLogP5.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.87
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate with MolForge

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Related Compounds

methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
methyl 2-[[3-[(3-bromophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241464
methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241371
methyl 2-[[3-[(2,5-dimethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241250
2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid
CID 22241581
2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 22241403
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327
2-[[3-[(2,4-dichlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;ethane
CID 142024078
methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685549
ethane;1-methyl-3-[[3-[(4-propan-2-ylphenyl)methoxy]phenoxy]methyl]-2-prop-1-en-2-ylbenzene
CID 142024340

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate?
The IUPAC name of methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate (CID 22241525) is methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate.
What is the SMILES notation for methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate?
The canonical SMILES for methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate is COC(=O)c1c(C)cccc1COc1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate?
The InChIKey is OXEWWNLHWUQWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO4/c1-16-5-3-6-18(22(16)23(25)26-2)15-28-21-8-4-7-20(13-21)27-14-17-9-11-19(24)12-10-17/h3-13H,14-15H2,1-2H3.
What are the key properties of methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate?
methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate has a molecular weight of 396.87 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate is sourced from PubChem (CID 22241525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).