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

C11H13ClO2 — CID 70682017

IUPAC5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC1(C)CCc2c(ccc(O)c2Cl)O1
InChIInChI=1S/C11H13ClO2/c1-11(2)6-5-7-9(14-11)4-3-8(13)10(7)12/h3-4,13H,5-6H2,1-2H3
InChIKeyOQNFNKBFCLNWCD-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.15
Rot. Bonds

About 5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol

5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol (PubChem CID 70682017) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
PubChem CID70682017
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC1(C)CCc2c(ccc(O)c2Cl)O1
InChIInChI=1S/C11H13ClO2/c1-11(2)6-5-7-9(14-11)4-3-8(13)10(7)12/h3-4,13H,5-6H2,1-2H3
InChIKeyOQNFNKBFCLNWCD-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

Analyze 5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol (CID 70682017) is 5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol is CC1(C)CCc2c(ccc(O)c2Cl)O1.
What is the InChIKey of 5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is OQNFNKBFCLNWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-11(2)6-5-7-9(14-11)4-3-8(13)10(7)12/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
5-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 5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 70682017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).