3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol

C18H20O2 — CID 114743317

IUPAC3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cccc3c2OCCC3)cc1
InChIInChI=1S/C18H20O2/c1-2-13-8-10-14(11-9-13)17(19)16-7-3-5-15-6-4-12-20-18(15)16/h3,5,7-11,17,19H,2,4,6,12H2,1H3
InChIKeyIEZBREBAKWFUNG-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.66
Rot. Bonds3

About 3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol

3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol (PubChem CID 114743317) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
PubChem CID114743317
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cccc3c2OCCC3)cc1
InChIInChI=1S/C18H20O2/c1-2-13-8-10-14(11-9-13)17(19)16-7-3-5-15-6-4-12-20-18(15)16/h3,5,7-11,17,19H,2,4,6,12H2,1H3
InChIKeyIEZBREBAKWFUNG-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol
CID 114743509
3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol
CID 114743263
3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol
CID 115837852
1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol
CID 115837825
(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
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743343
3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114743713
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
CID 114744556

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol (CID 114743317) is 3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol is CCc1ccc(C(O)c2cccc3c2OCCC3)cc1.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol?
The InChIKey is IEZBREBAKWFUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-13-8-10-14(11-9-13)17(19)16-7-3-5-15-6-4-12-20-18(15)16/h3,5,7-11,17,19H,2,4,6,12H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol?
3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol has a molecular weight of 268.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol is sourced from PubChem (CID 114743317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).