methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate

C23H22O4 — CID 22241445

IUPACmethyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
SMILESCOC(=O)c1c(C)cccc1COc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H22O4/c1-17-8-6-11-19(22(17)23(24)25-2)16-27-21-13-7-12-20(14-21)26-15-18-9-4-3-5-10-18/h3-14H,15-16H2,1-2H3
InChIKeyIKMPYLXZCOHVDD-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.94
Rot. Bonds7

About methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate

methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate (PubChem CID 22241445) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
PubChem CID22241445
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Namemethyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
SMILESCOC(=O)c1c(C)cccc1COc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H22O4/c1-17-8-6-11-19(22(17)23(24)25-2)16-27-21-13-7-12-20(14-21)26-15-18-9-4-3-5-10-18/h3-14H,15-16H2,1-2H3
InChIKeyIKMPYLXZCOHVDD-UHFFFAOYSA-N
XLogP4.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241525
2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
methyl 2-[[3-[(3-bromophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241464
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
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-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 22241403
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
2-methyl-6-[[3-[(3-methylnaphthalen-2-yl)methoxy]phenoxy]methyl]benzoic acid
CID 22241388
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241371
2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid
CID 68872970

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate?
The IUPAC name of methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate (CID 22241445) is methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate.
What is the SMILES notation for methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate?
The canonical SMILES for methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate is COC(=O)c1c(C)cccc1COc1cccc(OCc2ccccc2)c1.
What is the InChIKey of methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate?
The InChIKey is IKMPYLXZCOHVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-17-8-6-11-19(22(17)23(24)25-2)16-27-21-13-7-12-20(14-21)26-15-18-9-4-3-5-10-18/h3-14H,15-16H2,1-2H3.
What are the key properties of methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate?
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate has a molecular weight of 362.43 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate is sourced from PubChem (CID 22241445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).