(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene

C17H18O — CID 162778630

IUPAC(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
SMILESc1ccc(CC[C@H]2CCc3ccccc3O2)cc1
InChIInChI=1S/C17H18O/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-9,16H,10-13H2/t16-/m0/s1
InChIKeyIVZMEIULWLXGNI-INIZCTEOSA-N
MW238.33 g/mol
LogP4.01
Rot. Bonds3

About (2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene

(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene (PubChem CID 162778630) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
PubChem CID162778630
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
SMILESc1ccc(CC[C@H]2CCc3ccccc3O2)cc1
InChIInChI=1S/C17H18O/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-9,16H,10-13H2/t16-/m0/s1
InChIKeyIVZMEIULWLXGNI-INIZCTEOSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
2-(4-chlorobutyl)-3,4-dihydro-2H-chromene
CID 142039249
2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 19606307
2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine
CID 11220953
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1,2,4-triazole
CID 50965959
2-(difluoromethoxymethyl)-3,4-dihydro-2H-chromene
CID 163222414
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
2-(2-phenylethyl)oxetane
CID 13354102
2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
CID 154114295

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of (2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene (CID 162778630) is (2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene is c1ccc(CC[C@H]2CCc3ccccc3O2)cc1.
What is the InChIKey of (2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene?
The InChIKey is IVZMEIULWLXGNI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18O/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-9,16H,10-13H2/t16-/m0/s1.
What are the key properties of (2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene?
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene has a molecular weight of 238.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 162778630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).