(1S)-1-(5-chloro-2-decoxyphenyl)ethanol

C18H29ClO2 — CID 78944253

IUPAC(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
SMILESCCCCCCCCCCOc1ccc(Cl)cc1[C@H](C)O
InChIInChI=1S/C18H29ClO2/c1-3-4-5-6-7-8-9-10-13-21-18-12-11-16(19)14-17(18)15(2)20/h11-12,14-15,20H,3-10,13H2,1-2H3/t15-/m0/s1
InChIKeyPHYRWSRIKUARIJ-HNNXBMFYSA-N
MW312.88 g/mol
LogP5.91
Rot. Bonds11

About (1S)-1-(5-chloro-2-decoxyphenyl)ethanol

(1S)-1-(5-chloro-2-decoxyphenyl)ethanol (PubChem CID 78944253) has the molecular formula C18H29ClO2 and a molecular weight of 312.88 g/mol. Its IUPAC name is (1S)-1-(5-chloro-2-decoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
PubChem CID78944253
Molecular FormulaC18H29ClO2
Molecular Weight312.88 g/mol
Exact Mass312.19
IUPAC Name(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
SMILESCCCCCCCCCCOc1ccc(Cl)cc1[C@H](C)O
InChIInChI=1S/C18H29ClO2/c1-3-4-5-6-7-8-9-10-13-21-18-12-11-16(19)14-17(18)15(2)20/h11-12,14-15,20H,3-10,13H2,1-2H3/t15-/m0/s1
InChIKeyPHYRWSRIKUARIJ-HNNXBMFYSA-N
XLogP5.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.88
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757
(1S)-1-[5-chloro-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113981
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63533540
(1R)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63532943

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-2-decoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(5-chloro-2-decoxyphenyl)ethanol (CID 78944253) is (1S)-1-(5-chloro-2-decoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(5-chloro-2-decoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(5-chloro-2-decoxyphenyl)ethanol is CCCCCCCCCCOc1ccc(Cl)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-(5-chloro-2-decoxyphenyl)ethanol?
The InChIKey is PHYRWSRIKUARIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29ClO2/c1-3-4-5-6-7-8-9-10-13-21-18-12-11-16(19)14-17(18)15(2)20/h11-12,14-15,20H,3-10,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-2-decoxyphenyl)ethanol?
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol has a molecular weight of 312.88 g/mol, XLogP of 5.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-2-decoxyphenyl)ethanol is sourced from PubChem (CID 78944253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).