butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate

C18H19ClO3 — CID 82186264

IUPACbutan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
SMILESCCC(C)OC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClO3/c1-3-13(2)22-18(20)15-6-10-17(11-7-15)21-12-14-4-8-16(19)9-5-14/h4-11,13H,3,12H2,1-2H3
InChIKeyUBWWMUWMENKIIY-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.87
Rot. Bonds6

About butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate

butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate (PubChem CID 82186264) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Namebutan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
PubChem CID82186264
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Namebutan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
SMILESCCC(C)OC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClO3/c1-3-13(2)22-18(20)15-6-10-17(11-7-15)21-12-14-4-8-16(19)9-5-14/h4-11,13H,3,12H2,1-2H3
InChIKeyUBWWMUWMENKIIY-UHFFFAOYSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186223
[(2R)-octan-2-yl] 4-[[4-[[4-[(2R)-octan-2-yl]oxycarbonylphenyl]methoxy]phenoxy]methyl]benzoate
CID 139602078
butan-2-yl 4-pentoxybenzoate
CID 82186273
butan-2-yl 4-hexoxybenzoate
CID 82186259
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
[(2R)-octan-2-yl] 4-phenylmethoxybenzoate
CID 139762634
octan-2-yl 4-[[4-(4-methylphenyl)phenoxy]methyl]benzoate
CID 20641236
4-[(4-chlorophenoxy)methyl]-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9408975
prop-2-ynyl 4-[(4-chlorophenyl)methoxy]benzoate
CID 13176547
[(2R)-1-butoxypropan-2-yl] 4-phenylmethoxybenzoate
CID 139696533
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
ethyl (2S)-2-amino-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate;hydrochloride
CID 70109180

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate?
The IUPAC name of butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate (CID 82186264) is butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate?
The canonical SMILES for butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate is CCC(C)OC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate?
The InChIKey is UBWWMUWMENKIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-3-13(2)22-18(20)15-6-10-17(11-7-15)21-12-14-4-8-16(19)9-5-14/h4-11,13H,3,12H2,1-2H3.
What are the key properties of butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate?
butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate has a molecular weight of 318.80 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 82186264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).