6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol

C14H17ClO3 — CID 114714609

IUPAC6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC1CCC(C2CC(O)c3cc(Cl)ccc3O2)O1
InChIInChI=1S/C14H17ClO3/c1-8-2-4-13(17-8)14-7-11(16)10-6-9(15)3-5-12(10)18-14/h3,5-6,8,11,13-14,16H,2,4,7H2,1H3
InChIKeyQEPKELRXXGNIPK-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.09
Rot. Bonds1

About 6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol

6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714609) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714609
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC1CCC(C2CC(O)c3cc(Cl)ccc3O2)O1
InChIInChI=1S/C14H17ClO3/c1-8-2-4-13(17-8)14-7-11(16)10-6-9(15)3-5-12(10)18-14/h3,5-6,8,11,13-14,16H,2,4,7H2,1H3
InChIKeyQEPKELRXXGNIPK-UHFFFAOYSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715676
6-chloro-2-cyclobutyl-3,4-dihydro-2H-chromen-4-ol
CID 114714497
6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol
CID 114714546
(4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol
CID 104949265
(4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951765
(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949234
(4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 107133958
6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714596
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
(2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol
CID 42558642
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714427
(4R)-6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949116

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 114714609) is 6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol is CC1CCC(C2CC(O)c3cc(Cl)ccc3O2)O1.
What is the InChIKey of 6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is QEPKELRXXGNIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-8-2-4-13(17-8)14-7-11(16)10-6-9(15)3-5-12(10)18-14/h3,5-6,8,11,13-14,16H,2,4,7H2,1H3.
What are the key properties of 6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 268.74 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).