10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one

C16H15IO3 — CID 23656865

IUPAC10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one
SMILESCc1ccc2oc(=O)c3c(c2c1)OC1C(I)CCCC31
InChIInChI=1S/C16H15IO3/c1-8-5-6-12-10(7-8)15-13(16(18)19-12)9-3-2-4-11(17)14(9)20-15/h5-7,9,11,14H,2-4H2,1H3
InChIKeyHSIYJVSOGUNUAG-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.93
Rot. Bonds

About 10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one

10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 23656865) has the molecular formula C16H15IO3 and a molecular weight of 382.20 g/mol. Its IUPAC name is 10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID23656865
Molecular FormulaC16H15IO3
Molecular Weight382.20 g/mol
Exact Mass382.01
IUPAC Name10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one
SMILESCc1ccc2oc(=O)c3c(c2c1)OC1C(I)CCCC31
InChIInChI=1S/C16H15IO3/c1-8-5-6-12-10(7-8)15-13(16(18)19-12)9-3-2-4-11(17)14(9)20-15/h5-7,9,11,14H,2-4H2,1H3
InChIKeyHSIYJVSOGUNUAG-UHFFFAOYSA-N
XLogP3.93
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one with MolForge

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Related Compounds

8-iodo-7a,8,9,10,11,11a-hexahydro-[1]benzofuro[2,3-c]chromen-6-one
CID 23656866
2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 54680617
13-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-6,20-dimethyl-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
CID 54716867
(1R,14S)-21-ethyl-8,17-dimethyl-4,12-dioxa-21-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-2(11),5(10),6,8,15(20),16,18-heptaen-3-one
CID 102474479
(1S,14S)-8,17,21-trimethyl-4,12-dioxa-21-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-2(11),5(10),6,8,15(20),16,18-heptaen-3-one
CID 102474485
9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one
CID 132943016
[(12S,16R)-9-oxo-8,11-dioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6-tetraen-13-yl]mercury
CID 10323153
4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one
CID 163132795
(11S,15S)-2,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraen-9-one
CID 101041214
3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate
CID 163125433
CID 101070743
CID 101070743
2-methylxanthen-9-one;xanthen-9-one
CID 70546954

Frequently Asked Questions

What is the IUPAC name of 10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one (CID 23656865) is 10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one is Cc1ccc2oc(=O)c3c(c2c1)OC1C(I)CCCC31.
What is the InChIKey of 10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is HSIYJVSOGUNUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO3/c1-8-5-6-12-10(7-8)15-13(16(18)19-12)9-3-2-4-11(17)14(9)20-15/h5-7,9,11,14H,2-4H2,1H3.
What are the key properties of 10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one?
10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 382.20 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 23656865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).