(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene

C16H16O — CID 100969448

IUPAC(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene
SMILESC[C@@H]1C[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H16O/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1
InChIKeyFEQVSCDUIDPJJD-MLGOLLRUSA-N
MW224.30 g/mol
LogP4.31
Rot. Bonds1

About (2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene

(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene (PubChem CID 100969448) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene
PubChem CID100969448
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene
SMILESC[C@@H]1C[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H16O/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1
InChIKeyFEQVSCDUIDPJJD-MLGOLLRUSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene
CID 71443708
(2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile
CID 62707492
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945818
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945853
(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712242
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene (CID 100969448) is (2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene is C[C@@H]1C[C@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of (2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is FEQVSCDUIDPJJD-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H16O/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1.
What are the key properties of (2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene?
(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 224.30 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 100969448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).