(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

C16H14ClFO2 — CID 104950609

IUPAC(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@@H](O)CC(c1ccc(Cl)c(F)c1)O2
InChIInChI=1S/C16H14ClFO2/c1-9-2-5-15-11(6-9)14(19)8-16(20-15)10-3-4-12(17)13(18)7-10/h2-7,14,16,19H,8H2,1H3/t14-,16?/m0/s1
InChIKeyIKZRZOFULGSJHT-LBAUFKAWSA-N
MW292.74 g/mol
LogP4.34
Rot. Bonds1

About (4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950609) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950609
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@@H](O)CC(c1ccc(Cl)c(F)c1)O2
InChIInChI=1S/C16H14ClFO2/c1-9-2-5-15-11(6-9)14(19)8-16(20-15)10-3-4-12(17)13(18)7-10/h2-7,14,16,19H,8H2,1H3/t14-,16?/m0/s1
InChIKeyIKZRZOFULGSJHT-LBAUFKAWSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950383
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951446
(4S)-2-(3-chloro-4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950608
2-(4-chloro-3-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712639
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715244
6-methyl-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715181
(4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950334
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475
(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950688

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 104950609) is (4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)[C@@H](O)CC(c1ccc(Cl)c(F)c1)O2.
What is the InChIKey of (4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is IKZRZOFULGSJHT-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-9-2-5-15-11(6-9)14(19)8-16(20-15)10-3-4-12(17)13(18)7-10/h2-7,14,16,19H,8H2,1H3/t14-,16?/m0/s1.
What are the key properties of (4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 292.74 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).