1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol

C19H22O2 — CID 115837825

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1cccc2c1OCCC2
InChIInChI=1S/C19H22O2/c1-2-16(14-8-4-3-5-9-14)18(20)17-12-6-10-15-11-7-13-21-19(15)17/h3-6,8-10,12,16,18,20H,2,7,11,13H2,1H3
InChIKeyXJIDDYPKFVAQJS-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.24
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol

1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol (PubChem CID 115837825) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol
PubChem CID115837825
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1cccc2c1OCCC2
InChIInChI=1S/C19H22O2/c1-2-16(14-8-4-3-5-9-14)18(20)17-12-6-10-15-11-7-13-21-19(15)17/h3-6,8-10,12,16,18,20H,2,7,11,13H2,1H3
InChIKeyXJIDDYPKFVAQJS-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
CID 114743317
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
CID 114744556
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
[3,4-dihydro-2H-chromen-8-yl-(2-ethylphenyl)methyl]hydrazine
CID 105340021
3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol
CID 114743263
3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114743713

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol (CID 115837825) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol is CCC(c1ccccc1)C(O)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol?
The InChIKey is XJIDDYPKFVAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-16(14-8-4-3-5-9-14)18(20)17-12-6-10-15-11-7-13-21-19(15)17/h3-6,8-10,12,16,18,20H,2,7,11,13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol?
1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol is sourced from PubChem (CID 115837825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).