methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate

C17H24O3 — CID 143039549

IUPACmethyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
SMILESCCCCc1ccc(OC2(C(=O)OC)CCCC2)cc1
InChIInChI=1S/C17H24O3/c1-3-4-7-14-8-10-15(11-9-14)20-17(16(18)19-2)12-5-6-13-17/h8-11H,3-7,12-13H2,1-2H3
InChIKeyNTWMEGZTSYHGIP-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.89
Rot. Bonds6

About methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate

methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate (PubChem CID 143039549) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
PubChem CID143039549
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namemethyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
SMILESCCCCc1ccc(OC2(C(=O)OC)CCCC2)cc1
InChIInChI=1S/C17H24O3/c1-3-4-7-14-8-10-15(11-9-14)20-17(16(18)19-2)12-5-6-13-17/h8-11H,3-7,12-13H2,1-2H3
InChIKeyNTWMEGZTSYHGIP-UHFFFAOYSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[4-(4-methylsulfonyloxybutyl)phenoxy]cyclopentane-1-carboxylate
CID 58857422
1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid
CID 82129224
methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate
CID 97034337
methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929692
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-butylbenzene
CID 115492529
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341
1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555876
1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one
CID 116747836
1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine
CID 112518490
1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid
CID 82133597
methyl 2-acetamido-3-(4-butylphenoxy)propanoate
CID 115492132

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate (CID 143039549) is methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate is CCCCc1ccc(OC2(C(=O)OC)CCCC2)cc1.
What is the InChIKey of methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate?
The InChIKey is NTWMEGZTSYHGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-4-7-14-8-10-15(11-9-14)20-17(16(18)19-2)12-5-6-13-17/h8-11H,3-7,12-13H2,1-2H3.
What are the key properties of methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate?
methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 143039549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).