1-(2-heptoxy-4-methoxyphenyl)ethanol

C16H26O3 — CID 82001545

IUPAC1-(2-heptoxy-4-methoxyphenyl)ethanol
SMILESCCCCCCCOc1cc(OC)ccc1C(C)O
InChIInChI=1S/C16H26O3/c1-4-5-6-7-8-11-19-16-12-14(18-3)9-10-15(16)13(2)17/h9-10,12-13,17H,4-8,11H2,1-3H3
InChIKeyWPZJNLNWFGIMKA-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.10
Rot. Bonds9

About 1-(2-heptoxy-4-methoxyphenyl)ethanol

1-(2-heptoxy-4-methoxyphenyl)ethanol (PubChem CID 82001545) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2-heptoxy-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-heptoxy-4-methoxyphenyl)ethanol
PubChem CID82001545
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-(2-heptoxy-4-methoxyphenyl)ethanol
SMILESCCCCCCCOc1cc(OC)ccc1C(C)O
InChIInChI=1S/C16H26O3/c1-4-5-6-7-8-11-19-16-12-14(18-3)9-10-15(16)13(2)17/h9-10,12-13,17H,4-8,11H2,1-3H3
InChIKeyWPZJNLNWFGIMKA-UHFFFAOYSA-N
XLogP4.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.10
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

(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593

Frequently Asked Questions

What is the IUPAC name of 1-(2-heptoxy-4-methoxyphenyl)ethanol?
The IUPAC name of 1-(2-heptoxy-4-methoxyphenyl)ethanol (CID 82001545) is 1-(2-heptoxy-4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-heptoxy-4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2-heptoxy-4-methoxyphenyl)ethanol is CCCCCCCOc1cc(OC)ccc1C(C)O.
What is the InChIKey of 1-(2-heptoxy-4-methoxyphenyl)ethanol?
The InChIKey is WPZJNLNWFGIMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-5-6-7-8-11-19-16-12-14(18-3)9-10-15(16)13(2)17/h9-10,12-13,17H,4-8,11H2,1-3H3.
What are the key properties of 1-(2-heptoxy-4-methoxyphenyl)ethanol?
1-(2-heptoxy-4-methoxyphenyl)ethanol has a molecular weight of 266.38 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-heptoxy-4-methoxyphenyl)ethanol is sourced from PubChem (CID 82001545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).