tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate

C18H25FO3 — CID 167488791

IUPACtert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate
SMILESCc1cc(C(=O)OC(C)(C)C)c(F)cc1OCC1CCCC1
InChIInChI=1S/C18H25FO3/c1-12-9-14(17(20)22-18(2,3)4)15(19)10-16(12)21-11-13-7-5-6-8-13/h9-10,13H,5-8,11H2,1-4H3
InChIKeyDQNZFTZRFWSOMX-UHFFFAOYSA-N
MW308.39 g/mol
LogP4.66
Rot. Bonds4

About tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate

tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate (PubChem CID 167488791) has the molecular formula C18H25FO3 and a molecular weight of 308.39 g/mol. Its IUPAC name is tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate.

Molecular Properties

Compound Nametert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate
PubChem CID167488791
Molecular FormulaC18H25FO3
Molecular Weight308.39 g/mol
Exact Mass308.18
IUPAC Nametert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate
SMILESCc1cc(C(=O)OC(C)(C)C)c(F)cc1OCC1CCCC1
InChIInChI=1S/C18H25FO3/c1-12-9-14(17(20)22-18(2,3)4)15(19)10-16(12)21-11-13-7-5-6-8-13/h9-10,13H,5-8,11H2,1-4H3
InChIKeyDQNZFTZRFWSOMX-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-chloro-2-fluoro-4-(piperidin-3-ylmethoxy)benzoate
CID 174800043
tert-butyl 4-[[4,4-bis(fluoromethyl)cyclohexyl]methoxy]-5-cyclopropyl-2-fluorobenzoate
CID 90015935
tert-butyl 5-chloro-2-fluoro-4-[(2-methylcyclohexyl)methoxy]benzoate
CID 86703745
tert-butyl 4-[[4,4-bis(fluoromethyl)cyclohexyl]methoxy]-5-chloro-2-fluorobenzoate
CID 90016248
tert-butyl 3-[[2-chloro-5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]methyl]azetidine-1-carboxylate
CID 118110910
tert-butyl 4-[(1-benzylpiperidin-4-yl)methoxy]-5-chloro-2-fluorobenzoate
CID 118110654
tert-butyl 5-cyclopropyl-2-fluoro-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzoate
CID 118110490
1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone
CID 123451180
tert-butyl 4-[(1-benzhydrylazetidin-3-yl)methoxy]-5-cyclopropyl-2-fluorobenzoate
CID 86703779
tert-butyl 4-(4-chlorophenoxy)-2-fluoro-5-methylbenzoate
CID 123353156
tert-butyl 5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidin-4-yl]methoxy]-2-fluorobenzoate
CID 118110563
methyl 5-bromo-4-(cyclopropylmethoxy)-2-fluorobenzoate
CID 122623725

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate?
The IUPAC name of tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate (CID 167488791) is tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate.
What is the SMILES notation for tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate?
The canonical SMILES for tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate is Cc1cc(C(=O)OC(C)(C)C)c(F)cc1OCC1CCCC1.
What is the InChIKey of tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate?
The InChIKey is DQNZFTZRFWSOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO3/c1-12-9-14(17(20)22-18(2,3)4)15(19)10-16(12)21-11-13-7-5-6-8-13/h9-10,13H,5-8,11H2,1-4H3.
What are the key properties of tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate?
tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate has a molecular weight of 308.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate is sourced from PubChem (CID 167488791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).