(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol

C14H22O3 — CID 82001094

IUPAC(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
SMILESCCCCCOc1cc(OC)ccc1[C@H](C)O
InChIInChI=1S/C14H22O3/c1-4-5-6-9-17-14-10-12(16-3)7-8-13(14)11(2)15/h7-8,10-11,15H,4-6,9H2,1-3H3/t11-/m0/s1
InChIKeySZFOZTPNYAMJFF-NSHDSACASA-N
MW238.33 g/mol
LogP3.32
Rot. Bonds7

About (1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol

(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol (PubChem CID 82001094) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
PubChem CID82001094
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
SMILESCCCCCOc1cc(OC)ccc1[C@H](C)O
InChIInChI=1S/C14H22O3/c1-4-5-6-9-17-14-10-12(16-3)7-8-13(14)11(2)15/h7-8,10-11,15H,4-6,9H2,1-3H3/t11-/m0/s1
InChIKeySZFOZTPNYAMJFF-NSHDSACASA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol (CID 82001094) is (1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol is CCCCCOc1cc(OC)ccc1[C@H](C)O.
What is the InChIKey of (1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol?
The InChIKey is SZFOZTPNYAMJFF-NSHDSACASA-N. The full InChI is InChI=1S/C14H22O3/c1-4-5-6-9-17-14-10-12(16-3)7-8-13(14)11(2)15/h7-8,10-11,15H,4-6,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol?
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol has a molecular weight of 238.33 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol is sourced from PubChem (CID 82001094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).