(2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol

C19H20O2 — CID 14805950

IUPAC(2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol
SMILESC=C(C)[C@H]1Cc2c(CCc3ccccc3)cc(O)cc2O1
InChIInChI=1S/C19H20O2/c1-13(2)18-12-17-15(10-16(20)11-19(17)21-18)9-8-14-6-4-3-5-7-14/h3-7,10-11,18,20H,1,8-9,12H2,2H3/t18-/m1/s1
InChIKeyOEPUULIFNCDOLQ-GOSISDBHSA-N
MW280.37 g/mol
LogP4.06
Rot. Bonds4

About (2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol

(2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 14805950) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name(2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol
PubChem CID14805950
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol
SMILESC=C(C)[C@H]1Cc2c(CCc3ccccc3)cc(O)cc2O1
InChIInChI=1S/C19H20O2/c1-13(2)18-12-17-15(10-16(20)11-19(17)21-18)9-8-14-6-4-3-5-7-14/h3-7,10-11,18,20H,1,8-9,12H2,2H3/t18-/m1/s1
InChIKeyOEPUULIFNCDOLQ-GOSISDBHSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of (2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol (CID 14805950) is (2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for (2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for (2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol is C=C(C)[C@H]1Cc2c(CCc3ccccc3)cc(O)cc2O1.
What is the InChIKey of (2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is OEPUULIFNCDOLQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20O2/c1-13(2)18-12-17-15(10-16(20)11-19(17)21-18)9-8-14-6-4-3-5-7-14/h3-7,10-11,18,20H,1,8-9,12H2,2H3/t18-/m1/s1.
What are the key properties of (2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol?
(2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 280.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-phenylethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 14805950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).