3-ethoxy-2-propoxyphenol

C11H16O3 — CID 174814735

IUPAC3-ethoxy-2-propoxyphenol
SMILESCCCOc1c(O)cccc1OCC
InChIInChI=1S/C11H16O3/c1-3-8-14-11-9(12)6-5-7-10(11)13-4-2/h5-7,12H,3-4,8H2,1-2H3
InChIKeyMOAXKGMQZYKLTN-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.58
Rot. Bonds5

About 3-ethoxy-2-propoxyphenol

3-ethoxy-2-propoxyphenol (PubChem CID 174814735) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-ethoxy-2-propoxyphenol.

Molecular Properties

Compound Name3-ethoxy-2-propoxyphenol
PubChem CID174814735
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-ethoxy-2-propoxyphenol
SMILESCCCOc1c(O)cccc1OCC
InChIInChI=1S/C11H16O3/c1-3-8-14-11-9(12)6-5-7-10(11)13-4-2/h5-7,12H,3-4,8H2,1-2H3
InChIKeyMOAXKGMQZYKLTN-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dipentoxyphenol
CID 57426098
ethane;3-methyl-2-propoxyphenol
CID 143473467
2,3-diethoxyphenol;diphenylmethanone
CID 159024064
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
2-butoxybenzene-1,3-diol
CID 101011168
5-pentoxynaphthalen-1-ol
CID 67823980
1-bromo-2,3-dipropoxybenzene
CID 91157628
1,2-diethoxy-3-pentoxybenzene
CID 174527240
1-butoxy-3,4-diethoxy-2-propoxybenzene
CID 70308911
ethane;1-ethoxy-2-propoxybenzene;formic acid
CID 142473049
7-ethoxy-1H-indol-3-ol
CID 137437163
2-phenyl-3-propoxyphenol
CID 155695054

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-propoxyphenol?
The IUPAC name of 3-ethoxy-2-propoxyphenol (CID 174814735) is 3-ethoxy-2-propoxyphenol.
What is the SMILES notation for 3-ethoxy-2-propoxyphenol?
The canonical SMILES for 3-ethoxy-2-propoxyphenol is CCCOc1c(O)cccc1OCC.
What is the InChIKey of 3-ethoxy-2-propoxyphenol?
The InChIKey is MOAXKGMQZYKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-8-14-11-9(12)6-5-7-10(11)13-4-2/h5-7,12H,3-4,8H2,1-2H3.
What are the key properties of 3-ethoxy-2-propoxyphenol?
3-ethoxy-2-propoxyphenol has a molecular weight of 196.25 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-propoxyphenol is sourced from PubChem (CID 174814735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).