(2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol

C12H14O3 — CID 143772338

IUPAC(2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol
SMILESC=C(C)[C@H]1Oc2cccc(O)c2C[C@@H]1O
InChIInChI=1S/C12H14O3/c1-7(2)12-10(14)6-8-9(13)4-3-5-11(8)15-12/h3-5,10,12-14H,1,6H2,2H3/t10-,12+/m0/s1
InChIKeyBVAJFNCEJDGCNS-CMPLNLGQSA-N
MW206.24 g/mol
LogP1.63
Rot. Bonds1

About (2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol

(2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol (PubChem CID 143772338) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol.

Molecular Properties

Compound Name(2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol
PubChem CID143772338
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol
SMILESC=C(C)[C@H]1Oc2cccc(O)c2C[C@@H]1O
InChIInChI=1S/C12H14O3/c1-7(2)12-10(14)6-8-9(13)4-3-5-11(8)15-12/h3-5,10,12-14H,1,6H2,2H3/t10-,12+/m0/s1
InChIKeyBVAJFNCEJDGCNS-CMPLNLGQSA-N
XLogP1.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol
CID 134691344
3-amino-3,4-dihydro-2H-chromen-5-ol
CID 22366572
3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol
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3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol
CID 85239018
3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol
CID 105477797
(4-methyl-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244647
(3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol
CID 11435916
[(2S,3R)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
CID 166479708
5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 11163118
2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol?
The IUPAC name of (2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol (CID 143772338) is (2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol.
What is the SMILES notation for (2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol?
The canonical SMILES for (2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol is C=C(C)[C@H]1Oc2cccc(O)c2C[C@@H]1O.
What is the InChIKey of (2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol?
The InChIKey is BVAJFNCEJDGCNS-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H14O3/c1-7(2)12-10(14)6-8-9(13)4-3-5-11(8)15-12/h3-5,10,12-14H,1,6H2,2H3/t10-,12+/m0/s1.
What are the key properties of (2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol?
(2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol has a molecular weight of 206.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-prop-1-en-2-yl-3,4-dihydro-2H-chromene-3,5-diol is sourced from PubChem (CID 143772338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).