7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol

C11H13ClO2 — CID 14791437

IUPAC7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC1(C)CCc2cc(O)c(Cl)cc2O1
InChIInChI=1S/C11H13ClO2/c1-11(2)4-3-7-5-9(13)8(12)6-10(7)14-11/h5-6,13H,3-4H2,1-2H3
InChIKeyZBXUQAKBWOKKCJ-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.15
Rot. Bonds

About 7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol

7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol (PubChem CID 14791437) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
PubChem CID14791437
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC1(C)CCc2cc(O)c(Cl)cc2O1
InChIInChI=1S/C11H13ClO2/c1-11(2)4-3-7-5-9(13)8(12)6-10(7)14-11/h5-6,13H,3-4H2,1-2H3
InChIKeyZBXUQAKBWOKKCJ-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol (CID 14791437) is 7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol is CC1(C)CCc2cc(O)c(Cl)cc2O1.
What is the InChIKey of 7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is ZBXUQAKBWOKKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-11(2)4-3-7-5-9(13)8(12)6-10(7)14-11/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol has a molecular weight of 212.68 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 14791437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).