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

C17H18O3 — CID 104950145

IUPAC(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccc(C2C[C@@H](O)c3ccccc3O2)cc1
InChIInChI=1S/C17H18O3/c1-2-19-13-9-7-12(8-10-13)17-11-15(18)14-5-3-4-6-16(14)20-17/h3-10,15,17-18H,2,11H2,1H3/t15-,17?/m1/s1
InChIKeyGHYHQTYAWXYYLJ-LDCVWXEPSA-N
MW270.33 g/mol
LogP3.64
Rot. Bonds3

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

(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950145) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950145
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccc(C2C[C@@H](O)c3ccccc3O2)cc1
InChIInChI=1S/C17H18O3/c1-2-19-13-9-7-12(8-10-13)17-11-15(18)14-5-3-4-6-16(14)20-17/h3-10,15,17-18H,2,11H2,1H3/t15-,17?/m1/s1
InChIKeyGHYHQTYAWXYYLJ-LDCVWXEPSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948971
(4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949983
(4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950213
(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949924
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775
(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949995
2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709530
(4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104950149
(4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949776
(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951800
2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715708

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104950145) is (4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is CCOc1ccc(C2C[C@@H](O)c3ccccc3O2)cc1.
What is the InChIKey of (4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is GHYHQTYAWXYYLJ-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-19-13-9-7-12(8-10-13)17-11-15(18)14-5-3-4-6-16(14)20-17/h3-10,15,17-18H,2,11H2,1H3/t15-,17?/m1/s1.
What are the key properties of (4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 270.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).