butan-2-yl 2-phenylmethoxybenzoate

C18H20O3 — CID 82186245

IUPACbutan-2-yl 2-phenylmethoxybenzoate
SMILESCCC(C)OC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H20O3/c1-3-14(2)21-18(19)16-11-7-8-12-17(16)20-13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3
InChIKeyMSGVJUZMYXQDPG-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.22
Rot. Bonds6

About butan-2-yl 2-phenylmethoxybenzoate

butan-2-yl 2-phenylmethoxybenzoate (PubChem CID 82186245) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is butan-2-yl 2-phenylmethoxybenzoate.

Molecular Properties

Compound Namebutan-2-yl 2-phenylmethoxybenzoate
PubChem CID82186245
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namebutan-2-yl 2-phenylmethoxybenzoate
SMILESCCC(C)OC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H20O3/c1-3-14(2)21-18(19)16-11-7-8-12-17(16)20-13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3
InChIKeyMSGVJUZMYXQDPG-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718152
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
[(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate
CID 57196601
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 16522887
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 2605686
bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate;dibenzyl benzene-1,2-dicarboxylate
CID 175392349
2-phenylmethoxybenzoyl chloride
CID 10999355
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
butan-2-yl 2-(4-methylphenyl)benzoate
CID 139650592
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718120

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-phenylmethoxybenzoate?
The IUPAC name of butan-2-yl 2-phenylmethoxybenzoate (CID 82186245) is butan-2-yl 2-phenylmethoxybenzoate.
What is the SMILES notation for butan-2-yl 2-phenylmethoxybenzoate?
The canonical SMILES for butan-2-yl 2-phenylmethoxybenzoate is CCC(C)OC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of butan-2-yl 2-phenylmethoxybenzoate?
The InChIKey is MSGVJUZMYXQDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-14(2)21-18(19)16-11-7-8-12-17(16)20-13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3.
What are the key properties of butan-2-yl 2-phenylmethoxybenzoate?
butan-2-yl 2-phenylmethoxybenzoate has a molecular weight of 284.36 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-phenylmethoxybenzoate is sourced from PubChem (CID 82186245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).