6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol

C12H15ClO2 — CID 114714596

IUPAC6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)C1CC(O)c2cc(Cl)ccc2O1
InChIInChI=1S/C12H15ClO2/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-5,7,10,12,14H,6H2,1-2H3
InChIKeyBEGLDQQKEKGXCL-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.18
Rot. Bonds1

About 6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol

6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714596) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714596
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)C1CC(O)c2cc(Cl)ccc2O1
InChIInChI=1S/C12H15ClO2/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-5,7,10,12,14H,6H2,1-2H3
InChIKeyBEGLDQQKEKGXCL-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol (CID 114714596) is 6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol is CC(C)C1CC(O)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is BEGLDQQKEKGXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-5,7,10,12,14H,6H2,1-2H3.
What are the key properties of 6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 226.70 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).