(2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol

C11H14O2 — CID 129403969

IUPAC(2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol
SMILESCC1(C)C[C@H](O)Oc2ccccc21
InChIInChI=1S/C11H14O2/c1-11(2)7-10(12)13-9-6-4-3-5-8(9)11/h3-6,10,12H,7H2,1-2H3/t10-/m1/s1
InChIKeyDEMCRDLQVFJMMP-SNVBAGLBSA-N
MW178.23 g/mol
LogP2.07
Rot. Bonds

About (2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol

(2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol (PubChem CID 129403969) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol
PubChem CID129403969
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol
SMILESCC1(C)C[C@H](O)Oc2ccccc21
InChIInChI=1S/C11H14O2/c1-11(2)7-10(12)13-9-6-4-3-5-8(9)11/h3-6,10,12H,7H2,1-2H3/t10-/m1/s1
InChIKeyDEMCRDLQVFJMMP-SNVBAGLBSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol?
The IUPAC name of (2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol (CID 129403969) is (2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol.
What is the SMILES notation for (2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol?
The canonical SMILES for (2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol is CC1(C)C[C@H](O)Oc2ccccc21.
What is the InChIKey of (2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol?
The InChIKey is DEMCRDLQVFJMMP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2)7-10(12)13-9-6-4-3-5-8(9)11/h3-6,10,12H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol?
(2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol has a molecular weight of 178.23 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol is sourced from PubChem (CID 129403969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).