methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate

C18H22O3 — CID 58230495

IUPACmethyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate
SMILESCOC(=O)/C=C(\c1ccc2c(c1)OCC2)C1CCCCC1
InChIInChI=1S/C18H22O3/c1-20-18(19)12-16(13-5-3-2-4-6-13)15-8-7-14-9-10-21-17(14)11-15/h7-8,11-13H,2-6,9-10H2,1H3/b16-12-
InChIKeyBHMZJGPGIYTTMC-VBKFSLOCSA-N
MW286.37 g/mol
LogP3.76
Rot. Bonds3

About methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate

methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate (PubChem CID 58230495) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate
PubChem CID58230495
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Namemethyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate
SMILESCOC(=O)/C=C(\c1ccc2c(c1)OCC2)C1CCCCC1
InChIInChI=1S/C18H22O3/c1-20-18(19)12-16(13-5-3-2-4-6-13)15-8-7-14-9-10-21-17(14)11-15/h7-8,11-13H,2-6,9-10H2,1H3/b16-12-
InChIKeyBHMZJGPGIYTTMC-VBKFSLOCSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate (CID 58230495) is methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate is COC(=O)/C=C(\c1ccc2c(c1)OCC2)C1CCCCC1.
What is the InChIKey of methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate?
The InChIKey is BHMZJGPGIYTTMC-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H22O3/c1-20-18(19)12-16(13-5-3-2-4-6-13)15-8-7-14-9-10-21-17(14)11-15/h7-8,11-13H,2-6,9-10H2,1H3/b16-12-.
What are the key properties of methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate?
methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate has a molecular weight of 286.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-cyclohexyl-3-(2,3-dihydro-1-benzofuran-6-yl)prop-2-enoate is sourced from PubChem (CID 58230495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).