3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol

C18H21NO2 — CID 114743263

IUPAC3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)c2cccc3c2OCCC3)cc1
InChIInChI=1S/C18H21NO2/c1-19(2)15-10-8-13(9-11-15)17(20)16-7-3-5-14-6-4-12-21-18(14)16/h3,5,7-11,17,20H,4,6,12H2,1-2H3
InChIKeyLIFSNDDHDVLWLJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.16
Rot. Bonds3

About 3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol

3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol (PubChem CID 114743263) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol
PubChem CID114743263
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)c2cccc3c2OCCC3)cc1
InChIInChI=1S/C18H21NO2/c1-19(2)15-10-8-13(9-11-15)17(20)16-7-3-5-14-6-4-12-21-18(14)16/h3,5,7-11,17,20H,4,6,12H2,1-2H3
InChIKeyLIFSNDDHDVLWLJ-UHFFFAOYSA-N
XLogP3.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
CID 114743317
3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol
CID 114743509
3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol
CID 115837852
(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744817
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
4-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
CID 105189461
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743343
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol (CID 114743263) is 3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol is CN(C)c1ccc(C(O)c2cccc3c2OCCC3)cc1.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol?
The InChIKey is LIFSNDDHDVLWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19(2)15-10-8-13(9-11-15)17(20)16-7-3-5-14-6-4-12-21-18(14)16/h3,5,7-11,17,20H,4,6,12H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol?
3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol has a molecular weight of 283.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 114743263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).