(2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol

C19H22O2 — CID 129412297

IUPAC(2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1c(O)ccc2c1C[C@H](CCc1ccccc1)O2
InChIInChI=1S/C19H22O2/c1-2-6-16-17-13-15(21-19(17)12-11-18(16)20)10-9-14-7-4-3-5-8-14/h3-5,7-8,11-12,15,20H,2,6,9-10,13H2,1H3/t15-/m0/s1
InChIKeyXPQHHUKUOAMBLE-HNNXBMFYSA-N
MW282.38 g/mol
LogP4.28
Rot. Bonds5

About (2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol

(2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 129412297) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name(2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID129412297
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1c(O)ccc2c1C[C@H](CCc1ccccc1)O2
InChIInChI=1S/C19H22O2/c1-2-6-16-17-13-15(21-19(17)12-11-18(16)20)10-9-14-7-4-3-5-8-14/h3-5,7-8,11-12,15,20H,2,6,9-10,13H2,1H3/t15-/m0/s1
InChIKeyXPQHHUKUOAMBLE-HNNXBMFYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of (2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol (CID 129412297) is (2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for (2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for (2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol is CCCc1c(O)ccc2c1C[C@H](CCc1ccccc1)O2.
What is the InChIKey of (2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is XPQHHUKUOAMBLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-6-16-17-13-15(21-19(17)12-11-18(16)20)10-9-14-7-4-3-5-8-14/h3-5,7-8,11-12,15,20H,2,6,9-10,13H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol?
(2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 282.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 129412297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).