(2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol

C14H18O3 — CID 142737377

IUPAC(2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol
SMILESCC(C)=CCc1cc2c(cc1O)CC[C@H](O)O2
InChIInChI=1S/C14H18O3/c1-9(2)3-4-10-8-13-11(7-12(10)15)5-6-14(16)17-13/h3,7-8,14-16H,4-6H2,1-2H3/t14-/m1/s1
InChIKeyOWBMTFLOUGRQHD-CQSZACIVSA-N
MW234.29 g/mol
LogP2.54
Rot. Bonds2

About (2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol

(2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol (PubChem CID 142737377) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol.

Molecular Properties

Compound Name(2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol
PubChem CID142737377
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol
SMILESCC(C)=CCc1cc2c(cc1O)CC[C@H](O)O2
InChIInChI=1S/C14H18O3/c1-9(2)3-4-10-8-13-11(7-12(10)15)5-6-14(16)17-13/h3,7-8,14-16H,4-6H2,1-2H3/t14-/m1/s1
InChIKeyOWBMTFLOUGRQHD-CQSZACIVSA-N
XLogP2.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.54
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

2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
CID 83877987
7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 5321775
6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol
CID 134154970
6-ethyl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 151096967
2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 139704996
(2R)-5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
CID 26250142
(6aR,11aR)-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 10408212
2-[5-hydroxy-4-(3-methylbut-2-enyl)-8-(2-methylprop-1-enyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3,4-dihydro-2H-chromen-7-ol
CID 70673795
(6aR,11aR)-8-methyl-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 25243081
(6aS,11aS)-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
CID 10341413
(6aS,11aR)-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
CID 163001877

Frequently Asked Questions

What is the IUPAC name of (2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol?
The IUPAC name of (2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol (CID 142737377) is (2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol.
What is the SMILES notation for (2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol?
The canonical SMILES for (2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol is CC(C)=CCc1cc2c(cc1O)CC[C@H](O)O2.
What is the InChIKey of (2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol?
The InChIKey is OWBMTFLOUGRQHD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(2)3-4-10-8-13-11(7-12(10)15)5-6-14(16)17-13/h3,7-8,14-16H,4-6H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol?
(2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol has a molecular weight of 234.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol is sourced from PubChem (CID 142737377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).