(3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one

C14H16O5 — CID 162983137

IUPAC(3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one
SMILESC[C@H]1OC(=O)c2c3c(c(O)c(O)c21)OC(C)(C)CC3
InChIInChI=1S/C14H16O5/c1-6-8-9(13(17)18-6)7-4-5-14(2,3)19-12(7)11(16)10(8)15/h6,15-16H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyVXRIEWIAVSRHJN-ZCFIWIBFSA-N
MW264.28 g/mol
LogP2.43
Rot. Bonds

About (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one

(3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one (PubChem CID 162983137) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one.

Molecular Properties

Compound Name(3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one
PubChem CID162983137
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one
SMILESC[C@H]1OC(=O)c2c3c(c(O)c(O)c21)OC(C)(C)CC3
InChIInChI=1S/C14H16O5/c1-6-8-9(13(17)18-6)7-4-5-14(2,3)19-12(7)11(16)10(8)15/h6,15-16H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyVXRIEWIAVSRHJN-ZCFIWIBFSA-N
XLogP2.43
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-5,6-dihydroxy-4,8,8-trimethyl-1,4,9,10-tetrahydropyrano[4,3-f]chromen-2-one
CID 162913858
5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one
CID 11623082
4-(6-hydroxy-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl)benzonitrile
CID 11449655
(4S)-4-(3,4-dihydroxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13)-trien-6-one
CID 42608003
(4R)-4-(3,4-dihydroxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13)-trien-6-one
CID 163071345
1-(7,8-dihydroxy-2,2-dimethyl-5-prop-2-enyl-3,4-dihydrochromen-6-yl)ethanone
CID 24882034
2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol
CID 19877385
4-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-3-one
CID 20697552
trimethyl-(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)azanium acetate
CID 164687688
1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone
CID 134121286
5,5-dimethyl-9-(3-methylbutyl)-4-oxatetracyclo[10.2.2.02,11.03,8]hexadeca-2,8,10-trien-10-ol
CID 66861219
5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 11622944

Frequently Asked Questions

What is the IUPAC name of (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one?
The IUPAC name of (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one (CID 162983137) is (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one.
What is the SMILES notation for (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one?
The canonical SMILES for (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one is C[C@H]1OC(=O)c2c3c(c(O)c(O)c21)OC(C)(C)CC3.
What is the InChIKey of (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one?
The InChIKey is VXRIEWIAVSRHJN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C14H16O5/c1-6-8-9(13(17)18-6)7-4-5-14(2,3)19-12(7)11(16)10(8)15/h6,15-16H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one?
(3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one has a molecular weight of 264.28 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one is sourced from PubChem (CID 162983137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).