(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol

C17H19ClO2 — CID 63540954

IUPAC(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
SMILESCC(C)c1ccccc1Oc1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C17H19ClO2/c1-11(2)14-6-4-5-7-16(14)20-17-9-8-13(12(3)19)10-15(17)18/h4-12,19H,1-3H3/t12-/m1/s1
InChIKeyDUUJZHYVHACYKO-GFCCVEGCSA-N
MW290.79 g/mol
LogP5.31
Rot. Bonds4

About (1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol

(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol (PubChem CID 63540954) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
PubChem CID63540954
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
SMILESCC(C)c1ccccc1Oc1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C17H19ClO2/c1-11(2)14-6-4-5-7-16(14)20-17-9-8-13(12(3)19)10-15(17)18/h4-12,19H,1-3H3/t12-/m1/s1
InChIKeyDUUJZHYVHACYKO-GFCCVEGCSA-N
XLogP5.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.79
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]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

1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol
CID 62910643
1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506531
(1S)-1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941700
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
CID 62912366
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
(1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol
CID 63374618
(1R)-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]ethanol
CID 78941592
(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 78941429
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol (CID 63540954) is (1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol is CC(C)c1ccccc1Oc1ccc([C@@H](C)O)cc1Cl.
What is the InChIKey of (1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol?
The InChIKey is DUUJZHYVHACYKO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-11(2)14-6-4-5-7-16(14)20-17-9-8-13(12(3)19)10-15(17)18/h4-12,19H,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol?
(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol has a molecular weight of 290.79 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol is sourced from PubChem (CID 63540954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).