4-(1-cyclobutyl-3-hydroxypropyl)phenol

C13H18O2 — CID 115024794

IUPAC4-(1-cyclobutyl-3-hydroxypropyl)phenol
SMILESOCCC(c1ccc(O)cc1)C1CCC1
InChIInChI=1S/C13H18O2/c14-9-8-13(10-2-1-3-10)11-4-6-12(15)7-5-11/h4-7,10,13-15H,1-3,8-9H2
InChIKeyBXQTVJKCXUBQQP-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.66
Rot. Bonds4

About 4-(1-cyclobutyl-3-hydroxypropyl)phenol

4-(1-cyclobutyl-3-hydroxypropyl)phenol (PubChem CID 115024794) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(1-cyclobutyl-3-hydroxypropyl)phenol.

Molecular Properties

Compound Name4-(1-cyclobutyl-3-hydroxypropyl)phenol
PubChem CID115024794
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name4-(1-cyclobutyl-3-hydroxypropyl)phenol
SMILESOCCC(c1ccc(O)cc1)C1CCC1
InChIInChI=1S/C13H18O2/c14-9-8-13(10-2-1-3-10)11-4-6-12(15)7-5-11/h4-7,10,13-15H,1-3,8-9H2
InChIKeyBXQTVJKCXUBQQP-UHFFFAOYSA-N
XLogP2.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol
CID 151360371
3-cyclopropyl-3-phenylpropan-1-ol
CID 19754835
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 112508227
4-[bis(3-methylcyclohexyl)methyl]phenol
CID 57113131
4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol
CID 176616268
2-(4-hydroxyphenyl)butane-1,4-diol
CID 139687433
3-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]-3-(4-hydroxyphenyl)propanamide
CID 126815250
4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol
CID 57194666
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclobutyl-3-hydroxypropyl)phenol?
The IUPAC name of 4-(1-cyclobutyl-3-hydroxypropyl)phenol (CID 115024794) is 4-(1-cyclobutyl-3-hydroxypropyl)phenol.
What is the SMILES notation for 4-(1-cyclobutyl-3-hydroxypropyl)phenol?
The canonical SMILES for 4-(1-cyclobutyl-3-hydroxypropyl)phenol is OCCC(c1ccc(O)cc1)C1CCC1.
What is the InChIKey of 4-(1-cyclobutyl-3-hydroxypropyl)phenol?
The InChIKey is BXQTVJKCXUBQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-9-8-13(10-2-1-3-10)11-4-6-12(15)7-5-11/h4-7,10,13-15H,1-3,8-9H2.
What are the key properties of 4-(1-cyclobutyl-3-hydroxypropyl)phenol?
4-(1-cyclobutyl-3-hydroxypropyl)phenol has a molecular weight of 206.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclobutyl-3-hydroxypropyl)phenol is sourced from PubChem (CID 115024794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).