3-(hydroxymethyl)-5-propoxyphenol

C10H14O3 — CID 15514176

IUPAC3-(hydroxymethyl)-5-propoxyphenol
SMILESCCCOc1cc(O)cc(CO)c1
InChIInChI=1S/C10H14O3/c1-2-3-13-10-5-8(7-11)4-9(12)6-10/h4-6,11-12H,2-3,7H2,1H3
InChIKeyHKYVCOADTLRLAX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.67
Rot. Bonds4

About 3-(hydroxymethyl)-5-propoxyphenol

3-(hydroxymethyl)-5-propoxyphenol (PubChem CID 15514176) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-propoxyphenol.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-propoxyphenol
PubChem CID15514176
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(hydroxymethyl)-5-propoxyphenol
SMILESCCCOc1cc(O)cc(CO)c1
InChIInChI=1S/C10H14O3/c1-2-3-13-10-5-8(7-11)4-9(12)6-10/h4-6,11-12H,2-3,7H2,1H3
InChIKeyHKYVCOADTLRLAX-UHFFFAOYSA-N
XLogP1.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-propoxyphenol?
The IUPAC name of 3-(hydroxymethyl)-5-propoxyphenol (CID 15514176) is 3-(hydroxymethyl)-5-propoxyphenol.
What is the SMILES notation for 3-(hydroxymethyl)-5-propoxyphenol?
The canonical SMILES for 3-(hydroxymethyl)-5-propoxyphenol is CCCOc1cc(O)cc(CO)c1.
What is the InChIKey of 3-(hydroxymethyl)-5-propoxyphenol?
The InChIKey is HKYVCOADTLRLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-3-13-10-5-8(7-11)4-9(12)6-10/h4-6,11-12H,2-3,7H2,1H3.
What are the key properties of 3-(hydroxymethyl)-5-propoxyphenol?
3-(hydroxymethyl)-5-propoxyphenol has a molecular weight of 182.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-propoxyphenol is sourced from PubChem (CID 15514176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).