10-methoxyphenanthro[3,4-g]chromen-12-one

C22H14O3 — CID 101416332

IUPAC10-methoxyphenanthro[3,4-g]chromen-12-one
SMILESCOc1cc(=O)oc2cc3c(ccc4ccc5ccccc5c43)cc12
InChIInChI=1S/C22H14O3/c1-24-19-12-21(23)25-20-11-17-15(10-18(19)20)9-8-14-7-6-13-4-2-3-5-16(13)22(14)17/h2-12H,1H3
InChIKeyDKFOFWKYSIKXDX-UHFFFAOYSA-N
MW326.35 g/mol
LogP5.26
Rot. Bonds1

About 10-methoxyphenanthro[3,4-g]chromen-12-one

10-methoxyphenanthro[3,4-g]chromen-12-one (PubChem CID 101416332) has the molecular formula C22H14O3 and a molecular weight of 326.35 g/mol. Its IUPAC name is 10-methoxyphenanthro[3,4-g]chromen-12-one.

Molecular Properties

Compound Name10-methoxyphenanthro[3,4-g]chromen-12-one
PubChem CID101416332
Molecular FormulaC22H14O3
Molecular Weight326.35 g/mol
Exact Mass326.09
IUPAC Name10-methoxyphenanthro[3,4-g]chromen-12-one
SMILESCOc1cc(=O)oc2cc3c(ccc4ccc5ccccc5c43)cc12
InChIInChI=1S/C22H14O3/c1-24-19-12-21(23)25-20-11-17-15(10-18(19)20)9-8-14-7-6-13-4-2-3-5-16(13)22(14)17/h2-12H,1H3
InChIKeyDKFOFWKYSIKXDX-UHFFFAOYSA-N
XLogP5.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.35
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one
CID 7834384
5-methoxybenzo[c]phenanthrene
CID 621003
(3-oxobenzo[f]chromen-1-yl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 4312941
8-methoxynaphtho[1,2-c]chromen-5-one
CID 118617567
3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
CID 5073343
7-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,9,12,15,17,19,21-decaen-6-one
CID 101416325
8-methoxybenzo[a]xanthen-12-one
CID 135193701
2-(3,4-dimethoxyphenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
CID 9256464
6-methoxychrysene
CID 12935769
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611
4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one
CID 155557580
7-methoxy-4-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),5(10),6,8,12,15,17,19,21-decaen-3-one
CID 118617487

Frequently Asked Questions

What is the IUPAC name of 10-methoxyphenanthro[3,4-g]chromen-12-one?
The IUPAC name of 10-methoxyphenanthro[3,4-g]chromen-12-one (CID 101416332) is 10-methoxyphenanthro[3,4-g]chromen-12-one.
What is the SMILES notation for 10-methoxyphenanthro[3,4-g]chromen-12-one?
The canonical SMILES for 10-methoxyphenanthro[3,4-g]chromen-12-one is COc1cc(=O)oc2cc3c(ccc4ccc5ccccc5c43)cc12.
What is the InChIKey of 10-methoxyphenanthro[3,4-g]chromen-12-one?
The InChIKey is DKFOFWKYSIKXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O3/c1-24-19-12-21(23)25-20-11-17-15(10-18(19)20)9-8-14-7-6-13-4-2-3-5-16(13)22(14)17/h2-12H,1H3.
What are the key properties of 10-methoxyphenanthro[3,4-g]chromen-12-one?
10-methoxyphenanthro[3,4-g]chromen-12-one has a molecular weight of 326.35 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxyphenanthro[3,4-g]chromen-12-one is sourced from PubChem (CID 101416332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).