8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one

C22H18O5 — CID 1347567

IUPAC8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
SMILESCOc1ccc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)cc1
InChIInChI=1S/C22H18O5/c1-24-15-5-3-14(4-6-15)13-26-17-8-10-19-18-9-7-16(25-2)11-20(18)22(23)27-21(19)12-17/h3-12H,13H2,1-2H3
InChIKeyGUKYSTYUQOGZLC-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.54
Rot. Bonds5

About 8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one

8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one (PubChem CID 1347567) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is 8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one.

Molecular Properties

Compound Name8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
PubChem CID1347567
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
SMILESCOc1ccc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)cc1
InChIInChI=1S/C22H18O5/c1-24-15-5-3-14(4-6-15)13-26-17-8-10-19-18-9-7-16(25-2)11-20(18)22(23)27-21(19)12-17/h3-12H,13H2,1-2H3
InChIKeyGUKYSTYUQOGZLC-UHFFFAOYSA-N
XLogP4.54
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_A(2)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
CID 44963741
3-(3,3-dimethyl-2-oxobutoxy)-8-methoxybenzo[c]chromen-6-one
CID 1332673
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 175862262
8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
CID 164598270
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane
CID 145235878
3-hydroxy-7-methoxy-4-phenylmethoxychromen-2-one
CID 22402268
N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1072484
3-[4-(diethylamino)butoxy]-8-methoxybenzo[c]chromen-6-one
CID 169099666
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one?
The IUPAC name of 8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one (CID 1347567) is 8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one.
What is the SMILES notation for 8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one?
The canonical SMILES for 8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one is COc1ccc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)cc1.
What is the InChIKey of 8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one?
The InChIKey is GUKYSTYUQOGZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-24-15-5-3-14(4-6-15)13-26-17-8-10-19-18-9-7-16(25-2)11-20(18)22(23)27-21(19)12-17/h3-12H,13H2,1-2H3.
What are the key properties of 8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one?
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one has a molecular weight of 362.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one is sourced from PubChem (CID 1347567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).