methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate

C14H20O4 — CID 174723756

IUPACmethyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C14H20O4/c1-13(2,16)14(3,4)18-11-8-6-10(7-9-11)12(15)17-5/h6-9,16H,1-5H3
InChIKeyBMFCVMGEMWZLTM-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.40
Rot. Bonds4

About methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate

methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate (PubChem CID 174723756) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate
PubChem CID174723756
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namemethyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C14H20O4/c1-13(2,16)14(3,4)18-11-8-6-10(7-9-11)12(15)17-5/h6-9,16H,1-5H3
InChIKeyBMFCVMGEMWZLTM-UHFFFAOYSA-N
XLogP2.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237
methyl 4-[(2R,3R)-2,3-dihydroxy-3-(4-methoxycarbonylphenyl)butan-2-yl]benzoate
CID 11132081
methyl 4-(amino-fluoro-iodomethoxy)benzoate
CID 140697614
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284
(4-methoxycarbonylphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium
CID 171721840
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
methyl 4-(2-bromo-1,1-difluoroethoxy)benzoate
CID 177342628
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
CID 67391169
CID 67391169
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
methyl 4-methoxycarbonyloxybenzoate
CID 584598

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate?
The IUPAC name of methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate (CID 174723756) is methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate?
The canonical SMILES for methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate is COC(=O)c1ccc(OC(C)(C)C(C)(C)O)cc1.
What is the InChIKey of methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate?
The InChIKey is BMFCVMGEMWZLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-13(2,16)14(3,4)18-11-8-6-10(7-9-11)12(15)17-5/h6-9,16H,1-5H3.
What are the key properties of methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate?
methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate has a molecular weight of 252.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxybenzoate is sourced from PubChem (CID 174723756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).