(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol

C12H16O2 — CID 130124286

IUPAC(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)[C@H]1C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C12H16O2/c1-8(2)12-7-10(13)9-5-3-4-6-11(9)14-12/h3-6,8,10,12-13H,7H2,1-2H3/t10-,12-/m1/s1
InChIKeyWSXIQWUZOZZEDW-ZYHUDNBSSA-N
MW192.26 g/mol
LogP2.53
Rot. Bonds1

About (2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol

(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 130124286) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID130124286
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)[C@H]1C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C12H16O2/c1-8(2)12-7-10(13)9-5-3-4-6-11(9)14-12/h3-6,8,10,12-13H,7H2,1-2H3/t10-,12-/m1/s1
InChIKeyWSXIQWUZOZZEDW-ZYHUDNBSSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol (CID 130124286) is (2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol is CC(C)[C@H]1C[C@@H](O)c2ccccc2O1.
What is the InChIKey of (2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is WSXIQWUZOZZEDW-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(2)12-7-10(13)9-5-3-4-6-11(9)14-12/h3-6,8,10,12-13H,7H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 192.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 130124286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).