(1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol

C16H16ClFO2 — CID 102856322

IUPAC(1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol
SMILESCc1cc([C@@H](C)O)ccc1OCc1cccc(Cl)c1F
InChIInChI=1S/C16H16ClFO2/c1-10-8-12(11(2)19)6-7-15(10)20-9-13-4-3-5-14(17)16(13)18/h3-8,11,19H,9H2,1-2H3/t11-/m1/s1
InChIKeyBGVLBGHJXLDVRN-LLVKDONJSA-N
MW294.75 g/mol
LogP4.42
Rot. Bonds4

About (1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol

(1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol (PubChem CID 102856322) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol
PubChem CID102856322
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol
SMILESCc1cc([C@@H](C)O)ccc1OCc1cccc(Cl)c1F
InChIInChI=1S/C16H16ClFO2/c1-10-8-12(11(2)19)6-7-15(10)20-9-13-4-3-5-14(17)16(13)18/h3-8,11,19H,9H2,1-2H3/t11-/m1/s1
InChIKeyBGVLBGHJXLDVRN-LLVKDONJSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 102856296
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269
4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 102855854
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 102855714
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene
CID 102856373
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 82089007
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
(1S)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanol
CID 104892683
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 102856285
5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]benzenecarbothioamide
CID 102855956

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol (CID 102856322) is (1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol is Cc1cc([C@@H](C)O)ccc1OCc1cccc(Cl)c1F.
What is the InChIKey of (1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol?
The InChIKey is BGVLBGHJXLDVRN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-10-8-12(11(2)19)6-7-15(10)20-9-13-4-3-5-14(17)16(13)18/h3-8,11,19H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol?
(1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol has a molecular weight of 294.75 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol is sourced from PubChem (CID 102856322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).