1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one

C20H14O4 — CID 57325894

IUPAC1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one
SMILESCOc1ccc2c(c1)c(=O)oc1cc(-c3ccccc3)cc(O)c12
InChIInChI=1S/C20H14O4/c1-23-14-7-8-15-16(11-14)20(22)24-18-10-13(9-17(21)19(15)18)12-5-3-2-4-6-12/h2-11,21H,1H3
InChIKeyLRYLZNAGHYZIBF-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.33
Rot. Bonds2

About 1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one

1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one (PubChem CID 57325894) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one
PubChem CID57325894
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one
SMILESCOc1ccc2c(c1)c(=O)oc1cc(-c3ccccc3)cc(O)c12
InChIInChI=1S/C20H14O4/c1-23-14-7-8-15-16(11-14)20(22)24-18-10-13(9-17(21)19(15)18)12-5-3-2-4-6-12/h2-11,21H,1H3
InChIKeyLRYLZNAGHYZIBF-UHFFFAOYSA-N
XLogP4.33
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936004
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one
CID 102407236
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884
3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one
CID 171936010
1,2,4-trihydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936005
8-methoxynaphtho[1,2-c]chromen-5-one
CID 118617567
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one?
The IUPAC name of 1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one (CID 57325894) is 1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one.
What is the SMILES notation for 1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one?
The canonical SMILES for 1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one is COc1ccc2c(c1)c(=O)oc1cc(-c3ccccc3)cc(O)c12.
What is the InChIKey of 1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one?
The InChIKey is LRYLZNAGHYZIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c1-23-14-7-8-15-16(11-14)20(22)24-18-10-13(9-17(21)19(15)18)12-5-3-2-4-6-12/h2-11,21H,1H3.
What are the key properties of 1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one?
1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one has a molecular weight of 318.33 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one is sourced from PubChem (CID 57325894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).