(2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol

C11H14O2 — CID 124573509

IUPAC(2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)C[C@@H](C)O2
InChIInChI=1S/C11H14O2/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-5,8,10,12H,6H2,1-2H3/t8-,10-/m1/s1
InChIKeyDCJVFVZUJBNOPT-PSASIEDQSA-N
MW178.23 g/mol
LogP2.20
Rot. Bonds

About (2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol

(2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 124573509) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID124573509
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)C[C@@H](C)O2
InChIInChI=1S/C11H14O2/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-5,8,10,12H,6H2,1-2H3/t8-,10-/m1/s1
InChIKeyDCJVFVZUJBNOPT-PSASIEDQSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene
CID 126699254
(2R,4R)-4-hydroxy-2-methyl-3,4-dihydro-2H-chromene-6-carbonitrile
CID 131085984
2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715244
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715178
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561
(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950688
2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715161
(4R)-2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950366
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253
6-methyl-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715181
2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715251

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol (CID 124573509) is (2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)[C@H](O)C[C@@H](C)O2.
What is the InChIKey of (2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is DCJVFVZUJBNOPT-PSASIEDQSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-5,8,10,12H,6H2,1-2H3/t8-,10-/m1/s1.
What are the key properties of (2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol?
(2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 178.23 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 124573509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).