ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate

C24H24O5 — CID 54194018

IUPACethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate
SMILESCCCc1c(OCc2ccccc2)ccc2c(=O)cc(C=CC(=O)OCC)oc12
InChIInChI=1S/C24H24O5/c1-3-8-20-22(28-16-17-9-6-5-7-10-17)13-12-19-21(25)15-18(29-24(19)20)11-14-23(26)27-4-2/h5-7,9-15H,3-4,8,16H2,1-2H3
InChIKeyPKMSPEUMWVMHOG-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.90
Rot. Bonds8

About ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate

ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate (PubChem CID 54194018) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate
PubChem CID54194018
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Nameethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate
SMILESCCCc1c(OCc2ccccc2)ccc2c(=O)cc(C=CC(=O)OCC)oc12
InChIInChI=1S/C24H24O5/c1-3-8-20-22(28-16-17-9-6-5-7-10-17)13-12-19-21(25)15-18(29-24(19)20)11-14-23(26)27-4-2/h5-7,9-15H,3-4,8,16H2,1-2H3
InChIKeyPKMSPEUMWVMHOG-UHFFFAOYSA-N
XLogP4.90
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid
CID 21163139
ethyl (E)-3-(4-phenylmethoxy-1-benzofuran-2-yl)prop-2-enoate
CID 174244418
3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromen-2-yl]prop-2-enoic acid
CID 54239031
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one
CID 21460068
sodium (E)-3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromen-2-yl]prop-2-enoate
CID 23720716
ethyl (E)-3-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoate
CID 86618807
ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
CID 91099844
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
ethyl 4-[8-ethyl-4-methyl-2-oxo-7-[(4-phenylphenyl)methoxy]chromen-3-yl]butanoate
CID 71540003
ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 90905721

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate (CID 54194018) is ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate is CCCc1c(OCc2ccccc2)ccc2c(=O)cc(C=CC(=O)OCC)oc12.
What is the InChIKey of ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate?
The InChIKey is PKMSPEUMWVMHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c1-3-8-20-22(28-16-17-9-6-5-7-10-17)13-12-19-21(25)15-18(29-24(19)20)11-14-23(26)27-4-2/h5-7,9-15H,3-4,8,16H2,1-2H3.
What are the key properties of ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate?
ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate has a molecular weight of 392.45 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate is sourced from PubChem (CID 54194018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).