4-(2-hydroxypropyl)-2,3-dimethylphenol

C11H16O2 — CID 117278408

IUPAC4-(2-hydroxypropyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(CC(C)O)c1C
InChIInChI=1S/C11H16O2/c1-7(12)6-10-4-5-11(13)9(3)8(10)2/h4-5,7,12-13H,6H2,1-3H3
InChIKeyCXKXNJZPBWGCHN-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.93
Rot. Bonds2

About 4-(2-hydroxypropyl)-2,3-dimethylphenol

4-(2-hydroxypropyl)-2,3-dimethylphenol (PubChem CID 117278408) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(2-hydroxypropyl)-2,3-dimethylphenol.

Molecular Properties

Compound Name4-(2-hydroxypropyl)-2,3-dimethylphenol
PubChem CID117278408
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(2-hydroxypropyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(CC(C)O)c1C
InChIInChI=1S/C11H16O2/c1-7(12)6-10-4-5-11(13)9(3)8(10)2/h4-5,7,12-13H,6H2,1-3H3
InChIKeyCXKXNJZPBWGCHN-UHFFFAOYSA-N
XLogP1.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxypropyl)-2,6-dimethylphenol
CID 117278413
2-(2-hydroxypropyl)-5-methylsulfonylphenol
CID 117332645
4-(2-bromoethyl)-2,3-dimethylphenol
CID 171479549
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
4-bromo-2-(2-hydroxypropyl)-3-methylphenol
CID 117364048
3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117291165
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117280370
1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol
CID 174850544
4-(2-aminooxyethyl)-2,3-dimethylphenol
CID 117278812
2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol
CID 117400955

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropyl)-2,3-dimethylphenol?
The IUPAC name of 4-(2-hydroxypropyl)-2,3-dimethylphenol (CID 117278408) is 4-(2-hydroxypropyl)-2,3-dimethylphenol.
What is the SMILES notation for 4-(2-hydroxypropyl)-2,3-dimethylphenol?
The canonical SMILES for 4-(2-hydroxypropyl)-2,3-dimethylphenol is Cc1c(O)ccc(CC(C)O)c1C.
What is the InChIKey of 4-(2-hydroxypropyl)-2,3-dimethylphenol?
The InChIKey is CXKXNJZPBWGCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(12)6-10-4-5-11(13)9(3)8(10)2/h4-5,7,12-13H,6H2,1-3H3.
What are the key properties of 4-(2-hydroxypropyl)-2,3-dimethylphenol?
4-(2-hydroxypropyl)-2,3-dimethylphenol has a molecular weight of 180.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropyl)-2,3-dimethylphenol is sourced from PubChem (CID 117278408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).