4-[(1-aminocyclobutyl)-hydroxymethyl]phenol

C11H15NO2 — CID 105447122

IUPAC4-[(1-aminocyclobutyl)-hydroxymethyl]phenol
SMILESNC1(C(O)c2ccc(O)cc2)CCC1
InChIInChI=1S/C11H15NO2/c12-11(6-1-7-11)10(14)8-2-4-9(13)5-3-8/h2-5,10,13-14H,1,6-7,12H2
InChIKeyFJKIFRFEKQVPKU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.31
Rot. Bonds2

About 4-[(1-aminocyclobutyl)-hydroxymethyl]phenol

4-[(1-aminocyclobutyl)-hydroxymethyl]phenol (PubChem CID 105447122) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(1-aminocyclobutyl)-hydroxymethyl]phenol.

Molecular Properties

Compound Name4-[(1-aminocyclobutyl)-hydroxymethyl]phenol
PubChem CID105447122
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[(1-aminocyclobutyl)-hydroxymethyl]phenol
SMILESNC1(C(O)c2ccc(O)cc2)CCC1
InChIInChI=1S/C11H15NO2/c12-11(6-1-7-11)10(14)8-2-4-9(13)5-3-8/h2-5,10,13-14H,1,6-7,12H2
InChIKeyFJKIFRFEKQVPKU-UHFFFAOYSA-N
XLogP1.31
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-(3-bromophenyl)methanol
CID 82305819
(1-aminocyclohexyl)-(3-fluorophenyl)methanol
CID 82287146
4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol
CID 125454143
cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+)
CID 88681091
(1-aminocyclopentyl)-(2-fluorophenyl)methanol
CID 82283865
5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 116836212
(1-aminocyclopropyl)-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methanol
CID 116836223
1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol
CID 59815118
[1-[(4-hydroxyphenyl)sulfanylmethyl]cyclopentyl]methanediol
CID 20674692
4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 45038987
4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 67641722
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclobutyl)-hydroxymethyl]phenol?
The IUPAC name of 4-[(1-aminocyclobutyl)-hydroxymethyl]phenol (CID 105447122) is 4-[(1-aminocyclobutyl)-hydroxymethyl]phenol.
What is the SMILES notation for 4-[(1-aminocyclobutyl)-hydroxymethyl]phenol?
The canonical SMILES for 4-[(1-aminocyclobutyl)-hydroxymethyl]phenol is NC1(C(O)c2ccc(O)cc2)CCC1.
What is the InChIKey of 4-[(1-aminocyclobutyl)-hydroxymethyl]phenol?
The InChIKey is FJKIFRFEKQVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-11(6-1-7-11)10(14)8-2-4-9(13)5-3-8/h2-5,10,13-14H,1,6-7,12H2.
What are the key properties of 4-[(1-aminocyclobutyl)-hydroxymethyl]phenol?
4-[(1-aminocyclobutyl)-hydroxymethyl]phenol has a molecular weight of 193.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclobutyl)-hydroxymethyl]phenol is sourced from PubChem (CID 105447122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).