2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol

C18H20O3 — CID 104769164

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CC2CCOc3ccccc32)cc1
InChIInChI=1S/C18H20O3/c1-20-15-8-6-13(7-9-15)17(19)12-14-10-11-21-18-5-3-2-4-16(14)18/h2-9,14,17,19H,10-12H2,1H3
InChIKeyUUPJRBIAFDZHQA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.68
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol

2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol (PubChem CID 104769164) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
PubChem CID104769164
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CC2CCOc3ccccc32)cc1
InChIInChI=1S/C18H20O3/c1-20-15-8-6-13(7-9-15)17(19)12-14-10-11-21-18-5-3-2-4-16(14)18/h2-9,14,17,19H,10-12H2,1H3
InChIKeyUUPJRBIAFDZHQA-UHFFFAOYSA-N
XLogP3.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 104770056
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 104769223
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470
2-(3,4-dihydro-2H-chromen-4-ylmethylsulfanyl)-4-methoxyaniline
CID 104768655
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 104769214
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxypropan-2-ol
CID 104770040
N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide
CID 110751162
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554040
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 119146886
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol (CID 104769164) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CC2CCOc3ccccc32)cc1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is UUPJRBIAFDZHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-20-15-8-6-13(7-9-15)17(19)12-14-10-11-21-18-5-3-2-4-16(14)18/h2-9,14,17,19H,10-12H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 284.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 104769164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).