(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol

C17H16F2O2 — CID 82799951

IUPAC(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
SMILESCc1ccc(F)c(C(O)c2ccc3c(c2)CCCO3)c1F
InChIInChI=1S/C17H16F2O2/c1-10-4-6-13(18)15(16(10)19)17(20)12-5-7-14-11(9-12)3-2-8-21-14/h4-7,9,17,20H,2-3,8H2,1H3
InChIKeyQPHIMVXVFUEGJT-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.68
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol

(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol (PubChem CID 82799951) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
PubChem CID82799951
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
SMILESCc1ccc(F)c(C(O)c2ccc3c(c2)CCCO3)c1F
InChIInChI=1S/C17H16F2O2/c1-10-4-6-13(18)15(16(10)19)17(20)12-5-7-14-11(9-12)3-2-8-21-14/h4-7,9,17,20H,2-3,8H2,1H3
InChIKeyQPHIMVXVFUEGJT-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 61027481
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 61080782
(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82802452
1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62538318
(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 114560436
6-[bromo-(5-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 82891172

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol (CID 82799951) is (2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol is Cc1ccc(F)c(C(O)c2ccc3c(c2)CCCO3)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The InChIKey is QPHIMVXVFUEGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-10-4-6-13(18)15(16(10)19)17(20)12-5-7-14-11(9-12)3-2-8-21-14/h4-7,9,17,20H,2-3,8H2,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol has a molecular weight of 290.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol is sourced from PubChem (CID 82799951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).