1-(2-propoxyphenyl)ethanol

C11H16O2 — CID 43503976

IUPAC1-(2-propoxyphenyl)ethanol
SMILESCCCOc1ccccc1C(C)O
InChIInChI=1S/C11H16O2/c1-3-8-13-11-7-5-4-6-10(11)9(2)12/h4-7,9,12H,3,8H2,1-2H3
InChIKeyWFMRKPFMGZTMSZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.53
Rot. Bonds4

About 1-(2-propoxyphenyl)ethanol

1-(2-propoxyphenyl)ethanol (PubChem CID 43503976) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-propoxyphenyl)ethanol
PubChem CID43503976
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(2-propoxyphenyl)ethanol
SMILESCCCOc1ccccc1C(C)O
InChIInChI=1S/C11H16O2/c1-3-8-13-11-7-5-4-6-10(11)9(2)12/h4-7,9,12H,3,8H2,1-2H3
InChIKeyWFMRKPFMGZTMSZ-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
2-ethoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659557
(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
CID 78931201

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)ethanol?
The IUPAC name of 1-(2-propoxyphenyl)ethanol (CID 43503976) is 1-(2-propoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-propoxyphenyl)ethanol?
The canonical SMILES for 1-(2-propoxyphenyl)ethanol is CCCOc1ccccc1C(C)O.
What is the InChIKey of 1-(2-propoxyphenyl)ethanol?
The InChIKey is WFMRKPFMGZTMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-8-13-11-7-5-4-6-10(11)9(2)12/h4-7,9,12H,3,8H2,1-2H3.
What are the key properties of 1-(2-propoxyphenyl)ethanol?
1-(2-propoxyphenyl)ethanol has a molecular weight of 180.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)ethanol is sourced from PubChem (CID 43503976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).