6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one

C18H13ClO3 — CID 6181973

IUPAC6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one
SMILESCOc1ccc(/C=C/c2cc(=O)c3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H13ClO3/c1-21-14-6-2-12(3-7-14)4-8-15-11-17(20)16-10-13(19)5-9-18(16)22-15/h2-11H,1H3/b8-4+
InChIKeySJBCQQFJADKYMN-XBXARRHUSA-N
MW312.75 g/mol
LogP4.63
Rot. Bonds3

About 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one

6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one (PubChem CID 6181973) has the molecular formula C18H13ClO3 and a molecular weight of 312.75 g/mol. Its IUPAC name is 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one
PubChem CID6181973
Molecular FormulaC18H13ClO3
Molecular Weight312.75 g/mol
Exact Mass312.06
IUPAC Name6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one
SMILESCOc1ccc(/C=C/c2cc(=O)c3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H13ClO3/c1-21-14-6-2-12(3-7-14)4-8-15-11-17(20)16-10-13(19)5-9-18(16)22-15/h2-11H,1H3/b8-4+
InChIKeySJBCQQFJADKYMN-XBXARRHUSA-N
XLogP4.63
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one?
The IUPAC name of 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one (CID 6181973) is 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one.
What is the SMILES notation for 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one?
The canonical SMILES for 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one is COc1ccc(/C=C/c2cc(=O)c3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one?
The InChIKey is SJBCQQFJADKYMN-XBXARRHUSA-N. The full InChI is InChI=1S/C18H13ClO3/c1-21-14-6-2-12(3-7-14)4-8-15-11-17(20)16-10-13(19)5-9-18(16)22-15/h2-11H,1H3/b8-4+.
What are the key properties of 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one?
6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one has a molecular weight of 312.75 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one is sourced from PubChem (CID 6181973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).