1-(4-methoxy-3-pentoxyphenyl)ethanol

C14H22O3 — CID 91655145

IUPAC1-(4-methoxy-3-pentoxyphenyl)ethanol
SMILESCCCCCOc1cc(C(C)O)ccc1OC
InChIInChI=1S/C14H22O3/c1-4-5-6-9-17-14-10-12(11(2)15)7-8-13(14)16-3/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyRWPPFGQLRWLBTO-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.32
Rot. Bonds7

About 1-(4-methoxy-3-pentoxyphenyl)ethanol

1-(4-methoxy-3-pentoxyphenyl)ethanol (PubChem CID 91655145) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-methoxy-3-pentoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-methoxy-3-pentoxyphenyl)ethanol
PubChem CID91655145
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(4-methoxy-3-pentoxyphenyl)ethanol
SMILESCCCCCOc1cc(C(C)O)ccc1OC
InChIInChI=1S/C14H22O3/c1-4-5-6-9-17-14-10-12(11(2)15)7-8-13(14)16-3/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyRWPPFGQLRWLBTO-UHFFFAOYSA-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

(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
1-(3-butoxy-4-methoxyphenyl)butan-1-ol
CID 83951524
(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
CID 140923051
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
1-(3,4-dipentoxyphenyl)pentan-1-ol
CID 54470953
1-butoxy-3-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propan-2-ol
CID 107263386
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
1-(4-butoxy-3-chlorophenyl)ethanol
CID 91632940
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-pentoxyphenyl)ethanol?
The IUPAC name of 1-(4-methoxy-3-pentoxyphenyl)ethanol (CID 91655145) is 1-(4-methoxy-3-pentoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-methoxy-3-pentoxyphenyl)ethanol?
The canonical SMILES for 1-(4-methoxy-3-pentoxyphenyl)ethanol is CCCCCOc1cc(C(C)O)ccc1OC.
What is the InChIKey of 1-(4-methoxy-3-pentoxyphenyl)ethanol?
The InChIKey is RWPPFGQLRWLBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-5-6-9-17-14-10-12(11(2)15)7-8-13(14)16-3/h7-8,10-11,15H,4-6,9H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-pentoxyphenyl)ethanol?
1-(4-methoxy-3-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 1-(4-methoxy-3-pentoxyphenyl)ethanol is sourced from PubChem (CID 91655145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).