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

C18H20O2 — CID 104949968

IUPAC(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(CC1C[C@H](O)c2ccccc2O1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-13(14-7-3-2-4-8-14)11-15-12-17(19)16-9-5-6-10-18(16)20-15/h2-10,13,15,17,19H,11-12H2,1H3/t13?,15?,17-/m0/s1
InChIKeyIZHISJKWIMOHGE-PGEKIEPBSA-N
MW268.36 g/mol
LogP4.06
Rot. Bonds3

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

(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949968) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949968
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(CC1C[C@H](O)c2ccccc2O1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-13(14-7-3-2-4-8-14)11-15-12-17(19)16-9-5-6-10-18(16)20-15/h2-10,13,15,17,19H,11-12H2,1H3/t13?,15?,17-/m0/s1
InChIKeyIZHISJKWIMOHGE-PGEKIEPBSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715231
7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714792
(4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951956
2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol
CID 22645938
(4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950006
(4R)-6-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944437
(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 130124286
2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714846
7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710317
(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945971
(4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949803
6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715630

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol (CID 104949968) is (4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol is CC(CC1C[C@H](O)c2ccccc2O1)c1ccccc1.
What is the InChIKey of (4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is IZHISJKWIMOHGE-PGEKIEPBSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(14-7-3-2-4-8-14)11-15-12-17(19)16-9-5-6-10-18(16)20-15/h2-10,13,15,17,19H,11-12H2,1H3/t13?,15?,17-/m0/s1.
What are the key properties of (4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 268.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).