(2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one

C14H12O4 — CID 155925702

IUPAC(2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESC=C(CO)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C14H12O4/c1-8(7-15)11-5-10-4-9-2-3-14(16)18-12(9)6-13(10)17-11/h2-4,6,11,15H,1,5,7H2/t11-/m0/s1
InChIKeyGRCIKFBCHHZDDJ-NSHDSACASA-N
MW244.25 g/mol
LogP1.64
Rot. Bonds2

About (2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one

(2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one (PubChem CID 155925702) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name(2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
PubChem CID155925702
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name(2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESC=C(CO)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C14H12O4/c1-8(7-15)11-5-10-4-9-2-3-14(16)18-12(9)6-13(10)17-11/h2-4,6,11,15H,1,5,7H2/t11-/m0/s1
InChIKeyGRCIKFBCHHZDDJ-NSHDSACASA-N
XLogP1.64
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one?
The IUPAC name of (2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one (CID 155925702) is (2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one.
What is the SMILES notation for (2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one?
The canonical SMILES for (2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one is C=C(CO)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1.
What is the InChIKey of (2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one?
The InChIKey is GRCIKFBCHHZDDJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H12O4/c1-8(7-15)11-5-10-4-9-2-3-14(16)18-12(9)6-13(10)17-11/h2-4,6,11,15H,1,5,7H2/t11-/m0/s1.
What are the key properties of (2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one?
(2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one has a molecular weight of 244.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 155925702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).