(4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol

C17H16F2O2 — CID 104950334

IUPAC(4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC(c1ccc(C(F)F)cc1)O2
InChIInChI=1S/C17H16F2O2/c1-10-2-7-15-13(8-10)14(20)9-16(21-15)11-3-5-12(6-4-11)17(18)19/h2-8,14,16-17,20H,9H2,1H3/t14-,16?/m1/s1
InChIKeyVJPJUJAXOYNMMW-IURRXHLWSA-N
MW290.31 g/mol
LogP4.49
Rot. Bonds2

About (4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol

(4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950334) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is (4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950334
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name(4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC(c1ccc(C(F)F)cc1)O2
InChIInChI=1S/C17H16F2O2/c1-10-2-7-15-13(8-10)14(20)9-16(21-15)11-3-5-12(6-4-11)17(18)19/h2-8,14,16-17,20H,9H2,1H3/t14-,16?/m1/s1
InChIKeyVJPJUJAXOYNMMW-IURRXHLWSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715181
(4S)-6-bromo-2-[4-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104951173
2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715244
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715251
(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950688
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253
(4R)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950383
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950609
(4S)-2-(3-chloro-4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950608
(4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950320
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 104950334) is (4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)[C@H](O)CC(c1ccc(C(F)F)cc1)O2.
What is the InChIKey of (4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is VJPJUJAXOYNMMW-IURRXHLWSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-10-2-7-15-13(8-10)14(20)9-16(21-15)11-3-5-12(6-4-11)17(18)19/h2-8,14,16-17,20H,9H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 290.31 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).