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

C11H14O2 — CID 11019418

IUPAC(4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)C[C@H](O)c2ccccc2O1
InChIInChI=1S/C11H14O2/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6,9,12H,7H2,1-2H3/t9-/m0/s1
InChIKeyCOJJXYXOKBNPCL-VIFPVBQESA-N
MW178.23 g/mol
LogP2.28
Rot. Bonds

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

(4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 11019418) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID11019418
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)C[C@H](O)c2ccccc2O1
InChIInChI=1S/C11H14O2/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6,9,12H,7H2,1-2H3/t9-/m0/s1
InChIKeyCOJJXYXOKBNPCL-VIFPVBQESA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 11019418) is (4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol is CC1(C)C[C@H](O)c2ccccc2O1.
What is the InChIKey of (4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is COJJXYXOKBNPCL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6,9,12H,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
(4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 178.23 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 11019418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).