2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate

C15H13O4- — CID 22241290

IUPAC2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate
SMILESCc1cccc(COc2cccc(O)c2)c1C(=O)[O-]
InChIInChI=1S/C15H14O4/c1-10-4-2-5-11(14(10)15(17)18)9-19-13-7-3-6-12(16)8-13/h2-8,16H,9H2,1H3,(H,17,18)/p-1
InChIKeyLDKLCVRBYMIFQX-UHFFFAOYSA-M
MW257.26 g/mol
LogP1.64
Rot. Bonds4

About 2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate

2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate (PubChem CID 22241290) has the molecular formula C15H13O4- and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate.

Molecular Properties

Compound Name2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate
PubChem CID22241290
Molecular FormulaC15H13O4-
Molecular Weight257.26 g/mol
Exact Mass257.08
IUPAC Name2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate
SMILESCc1cccc(COc2cccc(O)c2)c1C(=O)[O-]
InChIInChI=1S/C15H14O4/c1-10-4-2-5-11(14(10)15(17)18)9-19-13-7-3-6-12(16)8-13/h2-8,16H,9H2,1H3,(H,17,18)/p-1
InChIKeyLDKLCVRBYMIFQX-UHFFFAOYSA-M
XLogP1.64
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
3-[4-(2-methylphenyl)butoxy]phenol
CID 175374188
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
2-methyl-6-[[3-[(3-methylnaphthalen-2-yl)methoxy]phenoxy]methyl]benzoic acid
CID 22241388
2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid
CID 22241581
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 22241403
methyl 2-[[3-[(2,5-dimethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241250

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate?
The IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate (CID 22241290) is 2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate.
What is the SMILES notation for 2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate?
The canonical SMILES for 2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate is Cc1cccc(COc2cccc(O)c2)c1C(=O)[O-].
What is the InChIKey of 2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate?
The InChIKey is LDKLCVRBYMIFQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14O4/c1-10-4-2-5-11(14(10)15(17)18)9-19-13-7-3-6-12(16)8-13/h2-8,16H,9H2,1H3,(H,17,18)/p-1.
What are the key properties of 2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate?
2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate has a molecular weight of 257.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate is sourced from PubChem (CID 22241290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).