(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol

C16H16ClFO3 — CID 102616497

IUPAC(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C16H16ClFO3/c1-10(19)11-3-6-15(16(8-11)20-2)21-9-12-7-13(18)4-5-14(12)17/h3-8,10,19H,9H2,1-2H3/t10-/m0/s1
InChIKeyHAOWVZNXSADIPZ-JTQLQIEISA-N
MW310.75 g/mol
LogP4.12
Rot. Bonds5

About (1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol

(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol (PubChem CID 102616497) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is (1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
PubChem CID102616497
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C16H16ClFO3/c1-10(19)11-3-6-15(16(8-11)20-2)21-9-12-7-13(18)4-5-14(12)17/h3-8,10,19H,9H2,1-2H3/t10-/m0/s1
InChIKeyHAOWVZNXSADIPZ-JTQLQIEISA-N
XLogP4.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]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

(1R)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanol
CID 105372092
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518
1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484
(1R)-1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931656
4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxybenzenecarbothioamide
CID 102616116
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616583
1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102948136
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719703
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 78930423
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol?
The IUPAC name of (1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol (CID 102616497) is (1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol is COc1cc([C@H](C)O)ccc1OCc1cc(F)ccc1Cl.
What is the InChIKey of (1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol?
The InChIKey is HAOWVZNXSADIPZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-10(19)11-3-6-15(16(8-11)20-2)21-9-12-7-13(18)4-5-14(12)17/h3-8,10,19H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol?
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol has a molecular weight of 310.75 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol is sourced from PubChem (CID 102616497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).