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

C18H20O3 — CID 104950213

IUPAC(4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)Oc1ccc(C2C[C@@H](O)c3ccccc3O2)cc1
InChIInChI=1S/C18H20O3/c1-12(2)20-14-9-7-13(8-10-14)18-11-16(19)15-5-3-4-6-17(15)21-18/h3-10,12,16,18-19H,11H2,1-2H3/t16-,18?/m1/s1
InChIKeyVXCBIIZUVKCVMC-PYUWXLGESA-N
MW284.36 g/mol
LogP4.03
Rot. Bonds3

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

(4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950213) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950213
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)Oc1ccc(C2C[C@@H](O)c3ccccc3O2)cc1
InChIInChI=1S/C18H20O3/c1-12(2)20-14-9-7-13(8-10-14)18-11-16(19)15-5-3-4-6-17(15)21-18/h3-10,12,16,18-19H,11H2,1-2H3/t16-,18?/m1/s1
InChIKeyVXCBIIZUVKCVMC-PYUWXLGESA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145
(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
(4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104950149
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 72766058
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
(4S)-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404380
2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715039
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024
(4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104949764
(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 130124286

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104950213) is (4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol is CC(C)Oc1ccc(C2C[C@@H](O)c3ccccc3O2)cc1.
What is the InChIKey of (4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is VXCBIIZUVKCVMC-PYUWXLGESA-N. The full InChI is InChI=1S/C18H20O3/c1-12(2)20-14-9-7-13(8-10-14)18-11-16(19)15-5-3-4-6-17(15)21-18/h3-10,12,16,18-19H,11H2,1-2H3/t16-,18?/m1/s1.
What are the key properties of (4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 284.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).