6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one

C18H14O2 — CID 11499910

IUPAC6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one
SMILESCc1ccc2oc(/C=C/c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C18H14O2/c1-13-7-10-18-16(11-13)17(19)12-15(20-18)9-8-14-5-3-2-4-6-14/h2-12H,1H3/b9-8+
InChIKeySIGUMUJGTLHAOS-CMDGGOBGSA-N
MW262.31 g/mol
LogP4.27
Rot. Bonds2

About 6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one

6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one (PubChem CID 11499910) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one.

Molecular Properties

Compound Name6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one
PubChem CID11499910
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one
SMILESCc1ccc2oc(/C=C/c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C18H14O2/c1-13-7-10-18-16(11-13)17(19)12-15(20-18)9-8-14-5-3-2-4-6-14/h2-12H,1H3/b9-8+
InChIKeySIGUMUJGTLHAOS-CMDGGOBGSA-N
XLogP4.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-(6-methyl-4-oxochromen-2-yl)ethenyl]benzoic acid
CID 21425809
2-[2-(4-bromophenyl)ethenyl]chromen-4-one
CID 77393330
2-[(E)-2-(4-hydroxyphenyl)ethenyl]chromen-4-one
CID 6479061
2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one
CID 67991191
2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-hydroxychromen-4-one
CID 69269215
2-(2-pyridin-3-ylethenyl)chromen-4-one
CID 85443659
2,6-bis[(E)-2-phenylethenyl]pyran-4-one
CID 6142827
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 6477679
6-methyl-2-propan-2-ylchromen-4-one
CID 170985483
2-(1-aminoethyl)-6-methylchromen-4-one
CID 90993613
7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one
CID 10593671

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one?
The IUPAC name of 6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one (CID 11499910) is 6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one.
What is the SMILES notation for 6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one?
The canonical SMILES for 6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one is Cc1ccc2oc(/C=C/c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one?
The InChIKey is SIGUMUJGTLHAOS-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H14O2/c1-13-7-10-18-16(11-13)17(19)12-15(20-18)9-8-14-5-3-2-4-6-14/h2-12H,1H3/b9-8+.
What are the key properties of 6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one?
6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one has a molecular weight of 262.31 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one is sourced from PubChem (CID 11499910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).