6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol

C14H18O3 — CID 114715178

IUPAC6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)CC(C1CCOC1)O2
InChIInChI=1S/C14H18O3/c1-9-2-3-13-11(6-9)12(15)7-14(17-13)10-4-5-16-8-10/h2-3,6,10,12,14-15H,4-5,7-8H2,1H3
InChIKeyFAUCCGRSUXROFF-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.22
Rot. Bonds1

About 6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol

6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715178) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715178
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)CC(C1CCOC1)O2
InChIInChI=1S/C14H18O3/c1-9-2-3-13-11(6-9)12(15)7-14(17-13)10-4-5-16-8-10/h2-3,6,10,12,14-15H,4-5,7-8H2,1H3
InChIKeyFAUCCGRSUXROFF-UHFFFAOYSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol (CID 114715178) is 6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)C(O)CC(C1CCOC1)O2.
What is the InChIKey of 6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is FAUCCGRSUXROFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9-2-3-13-11(6-9)12(15)7-14(17-13)10-4-5-16-8-10/h2-3,6,10,12,14-15H,4-5,7-8H2,1H3.
What are the key properties of 6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 234.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).