3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol

C17H20O2 — CID 141048051

IUPAC3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol
SMILESCc1cc(C)cc(-c2cc(O)ccc2CCCO)c1
InChIInChI=1S/C17H20O2/c1-12-8-13(2)10-15(9-12)17-11-16(19)6-5-14(17)4-3-7-18/h5-6,8-11,18-19H,3-4,7H2,1-2H3
InChIKeyUSWQFDYTNOOBLI-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.60
Rot. Bonds4

About 3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol

3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol (PubChem CID 141048051) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol
PubChem CID141048051
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol
SMILESCc1cc(C)cc(-c2cc(O)ccc2CCCO)c1
InChIInChI=1S/C17H20O2/c1-12-8-13(2)10-15(9-12)17-11-16(19)6-5-14(17)4-3-7-18/h5-6,8-11,18-19H,3-4,7H2,1-2H3
InChIKeyUSWQFDYTNOOBLI-UHFFFAOYSA-N
XLogP3.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol?
The IUPAC name of 3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol (CID 141048051) is 3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol?
The canonical SMILES for 3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol is Cc1cc(C)cc(-c2cc(O)ccc2CCCO)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol?
The InChIKey is USWQFDYTNOOBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12-8-13(2)10-15(9-12)17-11-16(19)6-5-14(17)4-3-7-18/h5-6,8-11,18-19H,3-4,7H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol?
3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol has a molecular weight of 256.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol is sourced from PubChem (CID 141048051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).