methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate

C19H24O3 — CID 67483766

IUPACmethyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate
SMILESCOCC#Cc1ccc(C(CC2CCCC2)C(=O)OC)cc1
InChIInChI=1S/C19H24O3/c1-21-13-5-8-15-9-11-17(12-10-15)18(19(20)22-2)14-16-6-3-4-7-16/h9-12,16,18H,3-4,6-7,13-14H2,1-2H3
InChIKeyPPAFRAPMWPEVBJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.52
Rot. Bonds5

About methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate

methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate (PubChem CID 67483766) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate
PubChem CID67483766
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Namemethyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate
SMILESCOCC#Cc1ccc(C(CC2CCCC2)C(=O)OC)cc1
InChIInChI=1S/C19H24O3/c1-21-13-5-8-15-9-11-17(12-10-15)18(19(20)22-2)14-16-6-3-4-7-16/h9-12,16,18H,3-4,6-7,13-14H2,1-2H3
InChIKeyPPAFRAPMWPEVBJ-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-cyclopentyl-2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]propanoate
CID 67484803
methyl 3-cyclopentyl-2-[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]propanoate
CID 67483965
methyl 3-cyclopentyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]propanoate
CID 67483982
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
ethyl 3-cyclopentyl-2-(4-ethylsulfanylphenyl)propanoate
CID 141028337
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate
CID 106987579
methyl 3-cyclohexyl-2-[4-(quinolin-2-ylmethoxy)phenyl]propanoate;methyl 2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 161335113
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
methyl 2-[3-chloro-4-[5-(trifluoromethyl)tetrazol-5-yl]phenyl]-3-cyclohexylpropanoate
CID 67484055
methyl 2-(3-methyl-4-methylsulfonylphenyl)-3-(oxan-4-yl)propanoate
CID 67188953
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate?
The IUPAC name of methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate (CID 67483766) is methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate.
What is the SMILES notation for methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate?
The canonical SMILES for methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate is COCC#Cc1ccc(C(CC2CCCC2)C(=O)OC)cc1.
What is the InChIKey of methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate?
The InChIKey is PPAFRAPMWPEVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-21-13-5-8-15-9-11-17(12-10-15)18(19(20)22-2)14-16-6-3-4-7-16/h9-12,16,18H,3-4,6-7,13-14H2,1-2H3.
What are the key properties of methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate?
methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate has a molecular weight of 300.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-2-[4-(3-methoxyprop-1-ynyl)phenyl]propanoate is sourced from PubChem (CID 67483766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).