10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one

C20H26O5 — CID 154443720

IUPAC10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
SMILESCCCOc1cc2c(c3oc(=O)cc(CCC)c13)C(O)C(C)C(C)O2
InChIInChI=1S/C20H26O5/c1-5-7-13-9-16(21)25-20-17(13)14(23-8-6-2)10-15-18(20)19(22)11(3)12(4)24-15/h9-12,19,22H,5-8H2,1-4H3
InChIKeyBUTQVXRICVCQRZ-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.98
Rot. Bonds5

About 10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one

10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one (PubChem CID 154443720) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one.

Molecular Properties

Compound Name10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
PubChem CID154443720
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
SMILESCCCOc1cc2c(c3oc(=O)cc(CCC)c13)C(O)C(C)C(C)O2
InChIInChI=1S/C20H26O5/c1-5-7-13-9-16(21)25-20-17(13)14(23-8-6-2)10-15-18(20)19(22)11(3)12(4)24-15/h9-12,19,22H,5-8H2,1-4H3
InChIKeyBUTQVXRICVCQRZ-UHFFFAOYSA-N
XLogP3.98
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
CID 500215
(8R,9S)-5-[(E)-but-2-enoxy]-10-hydroxy-8,9-dimethyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
CID 5275308
5,7-diethoxy-8-[(E)-2-methylbut-2-enoyl]-4-propylchromen-2-one
CID 5468947
[(4R,5R,6R)-4,5,16,16-tetramethyl-10-oxo-12-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13),11,17-pentaen-6-yl] acetate
CID 10740404
(16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one;(16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraen-4-one;(16R,17S,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one;(16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one;(16R,17S,18R)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one;(16R,17S,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraen-4-one;(16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraen-4-one;(16R,17S,18R)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13)-tetraen-4-one
CID 158010187
[17,18-bis[(4-bromobenzoyl)oxy]-4,5,16,16-tetramethyl-10-oxo-12-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13),11-tetraen-6-yl] 4-bromobenzoate
CID 4529025
8-(1-hydroxypropyl)-5,7-di(propan-2-yloxy)-4-propylchromen-2-one
CID 5275315
10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
CID 59119491
2-[[2-[(8,8-dimethyl-2-oxo-4-propyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]acetate
CID 8016346
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one
CID 5270980
3-[[2-[(8,8-dimethyl-2-oxo-4-propyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]propanoic acid
CID 8015910

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
The IUPAC name of 10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one (CID 154443720) is 10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one.
What is the SMILES notation for 10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
The canonical SMILES for 10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one is CCCOc1cc2c(c3oc(=O)cc(CCC)c13)C(O)C(C)C(C)O2.
What is the InChIKey of 10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
The InChIKey is BUTQVXRICVCQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-5-7-13-9-16(21)25-20-17(13)14(23-8-6-2)10-15-18(20)19(22)11(3)12(4)24-15/h9-12,19,22H,5-8H2,1-4H3.
What are the key properties of 10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one has a molecular weight of 346.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-8,9-dimethyl-5-propoxy-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one is sourced from PubChem (CID 154443720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).