(1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol

C14H21ClO4 — CID 103410329

IUPAC(1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
SMILESCOCCOCCCOc1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C14H21ClO4/c1-11(16)12-4-5-14(13(15)10-12)19-7-3-6-18-9-8-17-2/h4-5,10-11,16H,3,6-9H2,1-2H3/t11-/m0/s1
InChIKeySLKMHOLZNJMNMD-NSHDSACASA-N
MW288.77 g/mol
LogP2.83
Rot. Bonds9

About (1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol

(1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol (PubChem CID 103410329) has the molecular formula C14H21ClO4 and a molecular weight of 288.77 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
PubChem CID103410329
Molecular FormulaC14H21ClO4
Molecular Weight288.77 g/mol
Exact Mass288.11
IUPAC Name(1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
SMILESCOCCOCCCOc1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C14H21ClO4/c1-11(16)12-4-5-14(13(15)10-12)19-7-3-6-18-9-8-17-2/h4-5,10-11,16H,3,6-9H2,1-2H3/t11-/m0/s1
InChIKeySLKMHOLZNJMNMD-NSHDSACASA-N
XLogP2.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
1-(4-butoxy-3-chlorophenyl)ethanol
CID 91632940
(1R)-1-[3-chloro-4-(3-methylsulfanylpropoxy)phenyl]ethanol
CID 104863661
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
N-[[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]propan-2-amine
CID 103409034
(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828
1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103409031
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide
CID 103410565
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402785
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol (CID 103410329) is (1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol is COCCOCCCOc1ccc([C@H](C)O)cc1Cl.
What is the InChIKey of (1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The InChIKey is SLKMHOLZNJMNMD-NSHDSACASA-N. The full InChI is InChI=1S/C14H21ClO4/c1-11(16)12-4-5-14(13(15)10-12)19-7-3-6-18-9-8-17-2/h4-5,10-11,16H,3,6-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
(1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol has a molecular weight of 288.77 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol is sourced from PubChem (CID 103410329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).