4-propoxybenzene-1,3-diol

C9H12O3 — CID 66563298

IUPAC4-propoxybenzene-1,3-diol
SMILESCCCOc1ccc(O)cc1O
InChIInChI=1S/C9H12O3/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6,10-11H,2,5H2,1H3
InChIKeyFBVNQMWLRWWKMT-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.89
Rot. Bonds3

About 4-propoxybenzene-1,3-diol

4-propoxybenzene-1,3-diol (PubChem CID 66563298) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 4-propoxybenzene-1,3-diol.

Molecular Properties

Compound Name4-propoxybenzene-1,3-diol
PubChem CID66563298
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name4-propoxybenzene-1,3-diol
SMILESCCCOc1ccc(O)cc1O
InChIInChI=1S/C9H12O3/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6,10-11H,2,5H2,1H3
InChIKeyFBVNQMWLRWWKMT-UHFFFAOYSA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-nonoxybenzene-1,3-diol
CID 66563301
3-propoxy-4-propylphenol
CID 22123839
4,5-dimethyl-2-propoxyphenol
CID 82053946
4-[(2-propoxyanilino)methyl]benzene-1,3-diol
CID 43682277
3-propoxyphenazin-2-ol
CID 175825118
deuterio(fluoro)methane;4-methylbenzene-1,3-diol;2-methyl-5-propoxyphenol;4-methyl-3-propoxyphenol
CID 160770006
3-butoxy-4-methylphenol
CID 54016675
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one
CID 161090757
3-(hydroxymethyl)-4-nonoxyphenol
CID 14278819
3-butoxy-4-fluorophenol
CID 174949463
3,4,5-trifluoro-6-propoxynaphthalen-2-ol
CID 46221563
3-propoxy-4-(triazin-4-yl)phenol
CID 175356712

Frequently Asked Questions

What is the IUPAC name of 4-propoxybenzene-1,3-diol?
The IUPAC name of 4-propoxybenzene-1,3-diol (CID 66563298) is 4-propoxybenzene-1,3-diol.
What is the SMILES notation for 4-propoxybenzene-1,3-diol?
The canonical SMILES for 4-propoxybenzene-1,3-diol is CCCOc1ccc(O)cc1O.
What is the InChIKey of 4-propoxybenzene-1,3-diol?
The InChIKey is FBVNQMWLRWWKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6,10-11H,2,5H2,1H3.
What are the key properties of 4-propoxybenzene-1,3-diol?
4-propoxybenzene-1,3-diol has a molecular weight of 168.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxybenzene-1,3-diol is sourced from PubChem (CID 66563298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).