5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one

C19H16O5 — CID 11163118

IUPAC5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one
SMILESC=C(C)C1Cc2c(cc(O)c3c(=O)c4cccc(OC)c4oc23)O1
InChIInChI=1S/C19H16O5/c1-9(2)14-7-11-15(23-14)8-12(20)16-17(21)10-5-4-6-13(22-3)18(10)24-19(11)16/h4-6,8,14,20H,1,7H2,2-3H3
InChIKeyIQIPXSNGVKDTOM-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.54
Rot. Bonds2

About 5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one

5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one (PubChem CID 11163118) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one.

Molecular Properties

Compound Name5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one
PubChem CID11163118
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one
SMILESC=C(C)C1Cc2c(cc(O)c3c(=O)c4cccc(OC)c4oc23)O1
InChIInChI=1S/C19H16O5/c1-9(2)14-7-11-15(23-14)8-12(20)16-17(21)10-5-4-6-13(22-3)18(10)24-19(11)16/h4-6,8,14,20H,1,7H2,2-3H3
InChIKeyIQIPXSNGVKDTOM-UHFFFAOYSA-N
XLogP3.54
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-1,2-dihydroxyethenyl]-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 89344353
(6R)-10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
CID 5490819
(6R,21R)-10-hydroxy-16,17,21-trimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
CID 162933474
(2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 163055733
(3S,7S)-11-hydroxy-18-methoxy-6-methylidene-4,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14(19),15,17-hexaen-13-one
CID 11186777
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
5-hydroxy-11-methyl-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]acridin-6-one
CID 5281849
1,3-dihydroxy-5-methoxy-4-prop-2-enylxanthen-9-one
CID 20824988
16,17-dimethoxy-21-methylidene-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
CID 163043790
(2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 163187547
5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
CID 86231271
1-[(2S)-4-hydroxy-6-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one
CID 162955606

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one?
The IUPAC name of 5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one (CID 11163118) is 5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one.
What is the SMILES notation for 5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one?
The canonical SMILES for 5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one is C=C(C)C1Cc2c(cc(O)c3c(=O)c4cccc(OC)c4oc23)O1.
What is the InChIKey of 5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one?
The InChIKey is IQIPXSNGVKDTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-9(2)14-7-11-15(23-14)8-12(20)16-17(21)10-5-4-6-13(22-3)18(10)24-19(11)16/h4-6,8,14,20H,1,7H2,2-3H3.
What are the key properties of 5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one?
5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one has a molecular weight of 324.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one is sourced from PubChem (CID 11163118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).