4,5-dimethyl-2-propoxyphenol

C11H16O2 — CID 82053946

IUPAC4,5-dimethyl-2-propoxyphenol
SMILESCCCOc1cc(C)c(C)cc1O
InChIInChI=1S/C11H16O2/c1-4-5-13-11-7-9(3)8(2)6-10(11)12/h6-7,12H,4-5H2,1-3H3
InChIKeyVHYNRESLJNZGSS-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.80
Rot. Bonds3

About 4,5-dimethyl-2-propoxyphenol

4,5-dimethyl-2-propoxyphenol (PubChem CID 82053946) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4,5-dimethyl-2-propoxyphenol.

Molecular Properties

Compound Name4,5-dimethyl-2-propoxyphenol
PubChem CID82053946
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4,5-dimethyl-2-propoxyphenol
SMILESCCCOc1cc(C)c(C)cc1O
InChIInChI=1S/C11H16O2/c1-4-5-13-11-7-9(3)8(2)6-10(11)12/h6-7,12H,4-5H2,1-3H3
InChIKeyVHYNRESLJNZGSS-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-4,5-dimethylphenol
CID 82053903
4-propoxybenzene-1,3-diol
CID 66563298
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
3-propoxyphenazin-2-ol
CID 175825118
2-chloro-1-(4,5-dimethyl-2-propoxyphenyl)ethanone
CID 82053916
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
7,15,22-tri(tetradecoxy)tetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne-6,14,23-triol
CID 177400113
3,6,7,10-tetrapentoxytriphenylene-2,11-diol
CID 10031566
2-ethoxy-4-fluoro-5-methylphenol
CID 125115951
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine
CID 66517345
4-hydroxy-3-propoxybenzonitrile
CID 142309388

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propoxyphenol?
The IUPAC name of 4,5-dimethyl-2-propoxyphenol (CID 82053946) is 4,5-dimethyl-2-propoxyphenol.
What is the SMILES notation for 4,5-dimethyl-2-propoxyphenol?
The canonical SMILES for 4,5-dimethyl-2-propoxyphenol is CCCOc1cc(C)c(C)cc1O.
What is the InChIKey of 4,5-dimethyl-2-propoxyphenol?
The InChIKey is VHYNRESLJNZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-5-13-11-7-9(3)8(2)6-10(11)12/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-propoxyphenol?
4,5-dimethyl-2-propoxyphenol has a molecular weight of 180.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propoxyphenol is sourced from PubChem (CID 82053946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).