(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol

C16H16Cl2O2 — CID 107306815

IUPAC(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2O2/c1-2-14(19)12-7-3-4-9-15(12)20-10-11-6-5-8-13(17)16(11)18/h3-9,14,19H,2,10H2,1H3/t14-/m0/s1
InChIKeyVIZFMSDFJCRDJC-AWEZNQCLSA-N
MW311.21 g/mol
LogP5.02
Rot. Bonds5

About (1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol

(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol (PubChem CID 107306815) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is (1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
PubChem CID107306815
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2O2/c1-2-14(19)12-7-3-4-9-15(12)20-10-11-6-5-8-13(17)16(11)18/h3-9,14,19H,2,10H2,1H3/t14-/m0/s1
InChIKeyVIZFMSDFJCRDJC-AWEZNQCLSA-N
XLogP5.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 102856285
1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 107305765
(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 103046950
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306798
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269
(1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol
CID 104892698
3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63364338
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol (CID 107306815) is (1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OCc1cccc(Cl)c1Cl.
What is the InChIKey of (1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is VIZFMSDFJCRDJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-2-14(19)12-7-3-4-9-15(12)20-10-11-6-5-8-13(17)16(11)18/h3-9,14,19H,2,10H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol?
(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 311.21 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 107306815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).