(4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol

C19H22O2 — CID 104950386

IUPAC(4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC(C)(CCc1ccccc1)O2
InChIInChI=1S/C19H22O2/c1-14-8-9-18-16(12-14)17(20)13-19(2,21-18)11-10-15-6-4-3-5-7-15/h3-9,12,17,20H,10-11,13H2,1-2H3/t17-,19?/m1/s1
InChIKeyUVESHCSYSJYLJZ-DUSLRRAJSA-N
MW282.38 g/mol
LogP4.20
Rot. Bonds3

About (4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol

(4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol (PubChem CID 104950386) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol
PubChem CID104950386
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC(C)(CCc1ccccc1)O2
InChIInChI=1S/C19H22O2/c1-14-8-9-18-16(12-14)17(20)13-19(2,21-18)11-10-15-6-4-3-5-7-15/h3-9,12,17,20H,10-11,13H2,1-2H3/t17-,19?/m1/s1
InChIKeyUVESHCSYSJYLJZ-DUSLRRAJSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol?
The IUPAC name of (4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol (CID 104950386) is (4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol is Cc1ccc2c(c1)[C@H](O)CC(C)(CCc1ccccc1)O2.
What is the InChIKey of (4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol?
The InChIKey is UVESHCSYSJYLJZ-DUSLRRAJSA-N. The full InChI is InChI=1S/C19H22O2/c1-14-8-9-18-16(12-14)17(20)13-19(2,21-18)11-10-15-6-4-3-5-7-15/h3-9,12,17,20H,10-11,13H2,1-2H3/t17-,19?/m1/s1.
What are the key properties of (4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol?
(4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol has a molecular weight of 282.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104950386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).