(2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol

C12H16O2 — CID 168763034

IUPAC(2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol
SMILESCCC[C@@H]1Oc2ccccc2C[C@H]1O
InChIInChI=1S/C12H16O2/c1-2-5-12-10(13)8-9-6-3-4-7-11(9)14-12/h3-4,6-7,10,12-13H,2,5,8H2,1H3/t10-,12+/m1/s1
InChIKeyOGJGQIJSFGIPOB-PWSUYJOCSA-N
MW192.26 g/mol
LogP2.15
Rot. Bonds2

About (2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol

(2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 168763034) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol
PubChem CID168763034
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol
SMILESCCC[C@@H]1Oc2ccccc2C[C@H]1O
InChIInChI=1S/C12H16O2/c1-2-5-12-10(13)8-9-6-3-4-7-11(9)14-12/h3-4,6-7,10,12-13H,2,5,8H2,1H3/t10-,12+/m1/s1
InChIKeyOGJGQIJSFGIPOB-PWSUYJOCSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
CID 21293293
N-ethyl-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 70261253
(2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol
CID 168762983
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
(2-methyl-3,4-dihydro-2H-chromen-3-yl)methanol
CID 130824833
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
CID 66363473

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol (CID 168763034) is (2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol is CCC[C@@H]1Oc2ccccc2C[C@H]1O.
What is the InChIKey of (2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is OGJGQIJSFGIPOB-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-5-12-10(13)8-9-6-3-4-7-11(9)14-12/h3-4,6-7,10,12-13H,2,5,8H2,1H3/t10-,12+/m1/s1.
What are the key properties of (2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol?
(2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 192.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-propyl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 168763034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).