(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

C18H20O3 — CID 104951076

IUPAC(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCc1ccc(C2C[C@@H](O)c3cc(OC)ccc3O2)cc1
InChIInChI=1S/C18H20O3/c1-3-12-4-6-13(7-5-12)18-11-16(19)15-10-14(20-2)8-9-17(15)21-18/h4-10,16,18-19H,3,11H2,1-2H3/t16-,18?/m1/s1
InChIKeyAQWZJQSNTLSRIS-PYUWXLGESA-N
MW284.36 g/mol
LogP3.81
Rot. Bonds3

About (4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951076) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951076
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCc1ccc(C2C[C@@H](O)c3cc(OC)ccc3O2)cc1
InChIInChI=1S/C18H20O3/c1-3-12-4-6-13(7-5-12)18-11-16(19)15-10-14(20-2)8-9-17(15)21-18/h4-10,16,18-19H,3,11H2,1-2H3/t16-,18?/m1/s1
InChIKeyAQWZJQSNTLSRIS-PYUWXLGESA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950688
2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715251
(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951048
(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951010
(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909
(4S)-6-methoxy-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950762
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715340
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
(4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948971
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715443

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 104951076) is (4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is CCc1ccc(C2C[C@@H](O)c3cc(OC)ccc3O2)cc1.
What is the InChIKey of (4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is AQWZJQSNTLSRIS-PYUWXLGESA-N. The full InChI is InChI=1S/C18H20O3/c1-3-12-4-6-13(7-5-12)18-11-16(19)15-10-14(20-2)8-9-17(15)21-18/h4-10,16,18-19H,3,11H2,1-2H3/t16-,18?/m1/s1.
What are the key properties of (4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 284.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).