9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one

C18H12Cl2O4 — CID 44593023

IUPAC9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H12Cl2O4/c1-22-12-2-3-13-14(7-12)24-15-8-23-18(21)17(15)16(13)9-4-10(19)6-11(20)5-9/h2-7,16H,8H2,1H3
InChIKeyCBNCGFZJFJGGRN-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.34
Rot. Bonds2

About 9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one

9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one (PubChem CID 44593023) has the molecular formula C18H12Cl2O4 and a molecular weight of 363.20 g/mol. Its IUPAC name is 9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one.

Molecular Properties

Compound Name9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
PubChem CID44593023
Molecular FormulaC18H12Cl2O4
Molecular Weight363.20 g/mol
Exact Mass362.01
IUPAC Name9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H12Cl2O4/c1-22-12-2-3-13-14(7-12)24-15-8-23-18(21)17(15)16(13)9-4-10(19)6-11(20)5-9/h2-7,16H,8H2,1H3
InChIKeyCBNCGFZJFJGGRN-UHFFFAOYSA-N
XLogP4.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 680082
8-(3-bromo-4,5-dimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 44593019
(4R)-2-(3-chloro-5-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944855
3-chloro-6-methoxy-9H-xanthen-9-ol
CID 21482902
(8S)-8-(3-methoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 92846178
(4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 92974508
7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
CID 46949029
9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
CID 44593269
3,6-dimethoxy-9-propan-2-yl-9H-xanthene
CID 71740305
6-methoxy-1-benzofuran-3-one
CID 585368
(4S)-1-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426323
(1S,8R)-4-methoxy-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13,15(19)-heptaene-16,18-dione
CID 10614452

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The IUPAC name of 9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one (CID 44593023) is 9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one.
What is the SMILES notation for 9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The canonical SMILES for 9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one is COc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The InChIKey is CBNCGFZJFJGGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2O4/c1-22-12-2-3-13-14(7-12)24-15-8-23-18(21)17(15)16(13)9-4-10(19)6-11(20)5-9/h2-7,16H,8H2,1H3.
What are the key properties of 9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one has a molecular weight of 363.20 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one is sourced from PubChem (CID 44593023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).