(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol

C16H14ClFO2 — CID 114743779

IUPAC(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESOC(c1cccc(Cl)c1F)c1cccc2c1OCCC2
InChIInChI=1S/C16H14ClFO2/c17-13-8-2-6-11(14(13)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h1-2,4,6-8,15,19H,3,5,9H2
InChIKeyAIJOIGXJQKRTSZ-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.89
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol

(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (PubChem CID 114743779) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
PubChem CID114743779
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESOC(c1cccc(Cl)c1F)c1cccc2c1OCCC2
InChIInChI=1S/C16H14ClFO2/c17-13-8-2-6-11(14(13)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h1-2,4,6-8,15,19H,3,5,9H2
InChIKeyAIJOIGXJQKRTSZ-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 115837822
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 106694050
(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107538517
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744548
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743343
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The IUPAC name of (3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (CID 114743779) is (3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is OC(c1cccc(Cl)c1F)c1cccc2c1OCCC2.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The InChIKey is AIJOIGXJQKRTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c17-13-8-2-6-11(14(13)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h1-2,4,6-8,15,19H,3,5,9H2.
What are the key properties of (3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol has a molecular weight of 292.74 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is sourced from PubChem (CID 114743779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).