(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol

C17H18O2 — CID 104950152

IUPAC(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cccc(C2C[C@@H](O)c3ccccc3O2)c1C
InChIInChI=1S/C17H18O2/c1-11-6-5-8-13(12(11)2)17-10-15(18)14-7-3-4-9-16(14)19-17/h3-9,15,17-18H,10H2,1-2H3/t15-,17?/m1/s1
InChIKeyMXMQQYDFKIIENU-LDCVWXEPSA-N
MW254.33 g/mol
LogP3.86
Rot. Bonds1

About (4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950152) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950152
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cccc(C2C[C@@H](O)c3ccccc3O2)c1C
InChIInChI=1S/C17H18O2/c1-11-6-5-8-13(12(11)2)17-10-15(18)14-7-3-4-9-16(14)19-17/h3-9,15,17-18H,10H2,1-2H3/t15-,17?/m1/s1
InChIKeyMXMQQYDFKIIENU-LDCVWXEPSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104950152) is (4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol is Cc1cccc(C2C[C@@H](O)c3ccccc3O2)c1C.
What is the InChIKey of (4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is MXMQQYDFKIIENU-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-6-5-8-13(12(11)2)17-10-15(18)14-7-3-4-9-16(14)19-17/h3-9,15,17-18H,10H2,1-2H3/t15-,17?/m1/s1.
What are the key properties of (4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 254.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).