(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol

C16H17ClO2 — CID 78931026

IUPAC(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OCCc1ccccc1
InChIInChI=1S/C16H17ClO2/c1-12(18)15-11-14(17)7-8-16(15)19-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3/t12-/m1/s1
InChIKeyYRMXULYVFOUALW-GFCCVEGCSA-N
MW276.76 g/mol
LogP4.01
Rot. Bonds5

About (1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol

(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol (PubChem CID 78931026) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol
PubChem CID78931026
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OCCc1ccccc1
InChIInChI=1S/C16H17ClO2/c1-12(18)15-11-14(17)7-8-16(15)19-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3/t12-/m1/s1
InChIKeyYRMXULYVFOUALW-GFCCVEGCSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol
CID 55188616
1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446198
(1R)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63364444
1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 62937479
(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 78933528
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
1-[5-chloro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 62074214
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
(1S)-1-[5-chloro-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113981
(1S)-1-[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63364452

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol (CID 78931026) is (1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol is C[C@@H](O)c1cc(Cl)ccc1OCCc1ccccc1.
What is the InChIKey of (1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol?
The InChIKey is YRMXULYVFOUALW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-12(18)15-11-14(17)7-8-16(15)19-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol?
(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol has a molecular weight of 276.76 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol is sourced from PubChem (CID 78931026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).