(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol

C17H19ClO2 — CID 103960549

IUPAC(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol
SMILESCCc1cc(Oc2ccccc2[C@@H](O)CC)ccc1Cl
InChIInChI=1S/C17H19ClO2/c1-3-12-11-13(9-10-15(12)18)20-17-8-6-5-7-14(17)16(19)4-2/h5-11,16,19H,3-4H2,1-2H3/t16-/m0/s1
InChIKeyLYYMTFYDKVLEMV-INIZCTEOSA-N
MW290.79 g/mol
LogP5.14
Rot. Bonds5

About (1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol

(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol (PubChem CID 103960549) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is (1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol
PubChem CID103960549
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol
SMILESCCc1cc(Oc2ccccc2[C@@H](O)CC)ccc1Cl
InChIInChI=1S/C17H19ClO2/c1-3-12-11-13(9-10-15(12)18)20-17-8-6-5-7-14(17)16(19)4-2/h5-11,16,19H,3-4H2,1-2H3/t16-/m0/s1
InChIKeyLYYMTFYDKVLEMV-INIZCTEOSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.79
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425
1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine
CID 43286020
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
(1S)-1-[2-(4-iodophenoxy)phenyl]propan-1-ol
CID 113359087
(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol
CID 103960590
(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide
CID 103960520
1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
CID 112679109
1-(2-aminophenyl)-2-(4-chloro-3-ethylphenoxy)ethanol
CID 62268105
(1S)-1-[2-(3-fluoro-4-nitrophenoxy)phenyl]propan-1-ol
CID 103960599
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol (CID 103960549) is (1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol is CCc1cc(Oc2ccccc2[C@@H](O)CC)ccc1Cl.
What is the InChIKey of (1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol?
The InChIKey is LYYMTFYDKVLEMV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-3-12-11-13(9-10-15(12)18)20-17-8-6-5-7-14(17)16(19)4-2/h5-11,16,19H,3-4H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol?
(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol has a molecular weight of 290.79 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 103960549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).