(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol

C16H16ClFO2 — CID 103046969

IUPAC(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H16ClFO2/c1-10-3-5-14(11(2)19)16(7-10)20-9-12-8-13(17)4-6-15(12)18/h3-8,11,19H,9H2,1-2H3/t11-/m0/s1
InChIKeyOBWNCFWMVQTWBA-NSHDSACASA-N
MW294.75 g/mol
LogP4.42
Rot. Bonds4

About (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol

(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol (PubChem CID 103046969) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol
PubChem CID103046969
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H16ClFO2/c1-10-3-5-14(11(2)19)16(7-10)20-9-12-8-13(17)4-6-15(12)18/h3-8,11,19H,9H2,1-2H3/t11-/m0/s1
InChIKeyOBWNCFWMVQTWBA-NSHDSACASA-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

Analyze (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[2-[(3,4-difluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 82919064
(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
CID 78947426
(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78931561
(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947419
4-chloro-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
CID 79582501
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103046785
(1S)-1-[2-[(2,5-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002549
(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 55247059
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol (CID 103046969) is (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol is Cc1ccc([C@H](C)O)c(OCc2cc(Cl)ccc2F)c1.
What is the InChIKey of (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol?
The InChIKey is OBWNCFWMVQTWBA-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-10-3-5-14(11(2)19)16(7-10)20-9-12-8-13(17)4-6-15(12)18/h3-8,11,19H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol?
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-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 (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol is sourced from PubChem (CID 103046969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).