3-[(Z)-2-phenylethenyl]isochromen-1-one

C17H12O2 — CID 10681992

IUPAC3-[(Z)-2-phenylethenyl]isochromen-1-one
SMILESO=c1oc(/C=C\c2ccccc2)cc2ccccc12
InChIInChI=1S/C17H12O2/c18-17-16-9-5-4-8-14(16)12-15(19-17)11-10-13-6-2-1-3-7-13/h1-12H/b11-10-
InChIKeyJZSKEMIEFOUKHT-KHPPLWFESA-N
MW248.28 g/mol
LogP3.96
Rot. Bonds2

About 3-[(Z)-2-phenylethenyl]isochromen-1-one

3-[(Z)-2-phenylethenyl]isochromen-1-one (PubChem CID 10681992) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[(Z)-2-phenylethenyl]isochromen-1-one.

Molecular Properties

Compound Name3-[(Z)-2-phenylethenyl]isochromen-1-one
PubChem CID10681992
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name3-[(Z)-2-phenylethenyl]isochromen-1-one
SMILESO=c1oc(/C=C\c2ccccc2)cc2ccccc12
InChIInChI=1S/C17H12O2/c18-17-16-9-5-4-8-14(16)12-15(19-17)11-10-13-6-2-1-3-7-13/h1-12H/b11-10-
InChIKeyJZSKEMIEFOUKHT-KHPPLWFESA-N
XLogP3.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-chloroethenyl]isochromen-1-one
CID 132504017
2,6-bis[(E)-2-phenylethenyl]pyran-4-one
CID 6142827
6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one
CID 11499910
5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
CID 71358715
3-(methylamino)isochromen-1-one
CID 139097561
3-[(Z)-2-phenylethenyl]chrysene
CID 14241298
6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one
CID 2878832
6-iodo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
CID 53329594
2-[2-(4-bromophenyl)ethenyl]chromen-4-one
CID 77393330
2-[(E)-2-(4-hydroxyphenyl)ethenyl]chromen-4-one
CID 6479061
3-(1-hydroxyethyl)isochromen-1-one
CID 11171487
3-(1-aminoethyl)isochromen-1-one
CID 123222281

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-phenylethenyl]isochromen-1-one?
The IUPAC name of 3-[(Z)-2-phenylethenyl]isochromen-1-one (CID 10681992) is 3-[(Z)-2-phenylethenyl]isochromen-1-one.
What is the SMILES notation for 3-[(Z)-2-phenylethenyl]isochromen-1-one?
The canonical SMILES for 3-[(Z)-2-phenylethenyl]isochromen-1-one is O=c1oc(/C=C\c2ccccc2)cc2ccccc12.
What is the InChIKey of 3-[(Z)-2-phenylethenyl]isochromen-1-one?
The InChIKey is JZSKEMIEFOUKHT-KHPPLWFESA-N. The full InChI is InChI=1S/C17H12O2/c18-17-16-9-5-4-8-14(16)12-15(19-17)11-10-13-6-2-1-3-7-13/h1-12H/b11-10-.
What are the key properties of 3-[(Z)-2-phenylethenyl]isochromen-1-one?
3-[(Z)-2-phenylethenyl]isochromen-1-one has a molecular weight of 248.28 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-phenylethenyl]isochromen-1-one is sourced from PubChem (CID 10681992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).