methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate

C18H20O4 — CID 54149611

IUPACmethyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate
SMILESCCCc1c(O)cccc1OCc1ccccc1C(=O)OC
InChIInChI=1S/C18H20O4/c1-3-7-15-16(19)10-6-11-17(15)22-12-13-8-4-5-9-14(13)18(20)21-2/h4-6,8-11,19H,3,7,12H2,1-2H3
InChIKeyOGVGTKIOEIAEKH-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.71
Rot. Bonds6

About methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate

methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate (PubChem CID 54149611) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate
PubChem CID54149611
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Namemethyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate
SMILESCCCc1c(O)cccc1OCc1ccccc1C(=O)OC
InChIInChI=1S/C18H20O4/c1-3-7-15-16(19)10-6-11-17(15)22-12-13-8-4-5-9-14(13)18(20)21-2/h4-6,8-11,19H,3,7,12H2,1-2H3
InChIKeyOGVGTKIOEIAEKH-UHFFFAOYSA-N
XLogP3.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
2-[(2,3-dipropylphenoxy)methyl]phenol
CID 67181390
methane;methyl 2-propylbenzoate
CID 167647144
dimethyl 2-propylbenzene-1,3-dicarboxylate
CID 131888710
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
methyl 2-[[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenyl]methyl]benzoate
CID 10721539
3-methoxy-2-propylphenol
CID 10607156
disodium bis(2-[[3-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-2-propylphenoxy]methyl]benzoate)
CID 161423633
2,3-bis[(2-ethylphenoxy)methyl]phenol
CID 67177980
methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate
CID 10733286
methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate
CID 82976395

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate?
The IUPAC name of methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate (CID 54149611) is methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate.
What is the SMILES notation for methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate?
The canonical SMILES for methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate is CCCc1c(O)cccc1OCc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate?
The InChIKey is OGVGTKIOEIAEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-7-15-16(19)10-6-11-17(15)22-12-13-8-4-5-9-14(13)18(20)21-2/h4-6,8-11,19H,3,7,12H2,1-2H3.
What are the key properties of methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate?
methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate has a molecular weight of 300.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate is sourced from PubChem (CID 54149611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).