5,7,8-trimethoxy-3-phenylchromen-2-one

C18H16O5 — CID 134912099

IUPAC5,7,8-trimethoxy-3-phenylchromen-2-one
SMILESCOc1cc(OC)c2cc(-c3ccccc3)c(=O)oc2c1OC
InChIInChI=1S/C18H16O5/c1-20-14-10-15(21-2)17(22-3)16-13(14)9-12(18(19)23-16)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyZNUDSYIQFRDKDN-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.49
Rot. Bonds4

About 5,7,8-trimethoxy-3-phenylchromen-2-one

5,7,8-trimethoxy-3-phenylchromen-2-one (PubChem CID 134912099) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 5,7,8-trimethoxy-3-phenylchromen-2-one.

Molecular Properties

Compound Name5,7,8-trimethoxy-3-phenylchromen-2-one
PubChem CID134912099
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name5,7,8-trimethoxy-3-phenylchromen-2-one
SMILESCOc1cc(OC)c2cc(-c3ccccc3)c(=O)oc2c1OC
InChIInChI=1S/C18H16O5/c1-20-14-10-15(21-2)17(22-3)16-13(14)9-12(18(19)23-16)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyZNUDSYIQFRDKDN-UHFFFAOYSA-N
XLogP3.49
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
8-methoxy-3-phenylchromen-2-one
CID 2195449
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
5-[(but-3-yn-2-ylamino)methyl]-8-methoxy-3-phenylchromen-2-one
CID 23346434
1,3,5,6-tetramethoxy-4-phenylxanthen-9-one
CID 73351016
3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one
CID 163504792
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one
CID 4913756
7-methoxy-4-methyl-6-phenylchromen-2-one
CID 102307411
2-(3,4-dimethoxyphenyl)benzo[f]chromen-3-one
CID 747847
5,6,7-trimethoxy-4-methyl-3-phenylisochromen-1-one
CID 102581922

Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethoxy-3-phenylchromen-2-one?
The IUPAC name of 5,7,8-trimethoxy-3-phenylchromen-2-one (CID 134912099) is 5,7,8-trimethoxy-3-phenylchromen-2-one.
What is the SMILES notation for 5,7,8-trimethoxy-3-phenylchromen-2-one?
The canonical SMILES for 5,7,8-trimethoxy-3-phenylchromen-2-one is COc1cc(OC)c2cc(-c3ccccc3)c(=O)oc2c1OC.
What is the InChIKey of 5,7,8-trimethoxy-3-phenylchromen-2-one?
The InChIKey is ZNUDSYIQFRDKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-20-14-10-15(21-2)17(22-3)16-13(14)9-12(18(19)23-16)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 5,7,8-trimethoxy-3-phenylchromen-2-one?
5,7,8-trimethoxy-3-phenylchromen-2-one has a molecular weight of 312.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethoxy-3-phenylchromen-2-one is sourced from PubChem (CID 134912099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).