4-propoxyphenol

C9H12O2 — CID 29352

IUPAC4-propoxyphenol
SMILESCCCOc1ccc(O)cc1
InChIInChI=1S/C9H12O2/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,10H,2,7H2,1H3
InChIKeyKIIIPQXXLVCCQP-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.18
Rot. Bonds3

About 4-propoxyphenol

4-propoxyphenol (PubChem CID 29352) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-propoxyphenol.

Molecular Properties

Compound Name4-propoxyphenol
PubChem CID29352
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-propoxyphenol
SMILESCCCOc1ccc(O)cc1
InChIInChI=1S/C9H12O2/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,10H,2,7H2,1H3
InChIKeyKIIIPQXXLVCCQP-UHFFFAOYSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propoxyphenol?
The IUPAC name of 4-propoxyphenol (CID 29352) is 4-propoxyphenol.
What is the SMILES notation for 4-propoxyphenol?
The canonical SMILES for 4-propoxyphenol is CCCOc1ccc(O)cc1.
What is the InChIKey of 4-propoxyphenol?
The InChIKey is KIIIPQXXLVCCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,10H,2,7H2,1H3.
What are the key properties of 4-propoxyphenol?
4-propoxyphenol has a molecular weight of 152.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxyphenol is sourced from PubChem (CID 29352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).