ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate

C17H21BrO4 — CID 11462803

IUPACethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C(Br)=C/c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C17H21BrO4/c1-3-21-17(19)14(18)10-12-8-9-15(20-2)16(11-12)22-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3/b14-10-
InChIKeyKJBKROGNUGTZKD-UVTDQMKNSA-N
MW369.26 g/mol
LogP4.32
Rot. Bonds6

About ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate

ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate (PubChem CID 11462803) has the molecular formula C17H21BrO4 and a molecular weight of 369.26 g/mol. Its IUPAC name is ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
PubChem CID11462803
Molecular FormulaC17H21BrO4
Molecular Weight369.26 g/mol
Exact Mass368.06
IUPAC Nameethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C(Br)=C/c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C17H21BrO4/c1-3-21-17(19)14(18)10-12-8-9-15(20-2)16(11-12)22-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3/b14-10-
InChIKeyKJBKROGNUGTZKD-UVTDQMKNSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate
CID 54463254
dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate
CID 85045270
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
4-O-(methoxymethyl) 1-O-methyl (2E)-2-[(4-cyclopentyloxy-3-methoxyphenyl)methylidene]butanedioate
CID 15541286
ethyl 3-(3,4-dimethoxyphenyl)-2-formamidoprop-2-enoate
CID 85438887
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
CID 139988631
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoic acid;hydrochloride
CID 67713232
(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 10106724
2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate (CID 11462803) is ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate is CCOC(=O)/C(Br)=C/c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate?
The InChIKey is KJBKROGNUGTZKD-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H21BrO4/c1-3-21-17(19)14(18)10-12-8-9-15(20-2)16(11-12)22-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3/b14-10-.
What are the key properties of ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate?
ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate has a molecular weight of 369.26 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 11462803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).