4-Methoxyphenethyl alcohol

C9H12O2 — CID 69705

IUPAC2-(4-methoxyphenyl)ethanol
SMILESCOC1=CC=C(C=C1)CCO
InChIInChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3
InChIKeyAUWDOZOUJWEPBA-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.80
Rot. Bonds3

About 4-Methoxyphenethyl alcohol

4-Methoxyphenethyl alcohol (PubChem CID 69705) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name4-Methoxyphenethyl alcohol
PubChem CID69705
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-(4-methoxyphenyl)ethanol
SMILESCOC1=CC=C(C=C1)CCO
InChIInChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3
InChIKeyAUWDOZOUJWEPBA-UHFFFAOYSA-N
XLogP0.80
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity95

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Eugenol
CID 3314
Anethole
CID 637563
Methyleugenol
CID 7127
Estragole
CID 8815
Tyrosol
CID 10393
Mephenesin
CID 4059
Nonaethylene Glycol Nonylphenyl Ether
CID 72385
4-Propylguaiacol
CID 17739
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CID 2194
3-Phenoxybenzyl alcohol
CID 26295
4-Methoxybenzyl alcohol
CID 7738
4-Methylanisole
CID 7731

Frequently Asked Questions

What is the IUPAC name of 4-Methoxyphenethyl alcohol?
The IUPAC name of 4-Methoxyphenethyl alcohol (CID 69705) is 2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 4-Methoxyphenethyl alcohol?
The canonical SMILES for 4-Methoxyphenethyl alcohol is COC1=CC=C(C=C1)CCO.
What is the InChIKey of 4-Methoxyphenethyl alcohol?
The InChIKey is AUWDOZOUJWEPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 4-Methoxyphenethyl alcohol?
4-Methoxyphenethyl alcohol has a molecular weight of 152.19 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methoxyphenethyl alcohol is sourced from PubChem (CID 69705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).