2-(azetidin-3-ylmethyl)phenol;hydrochloride

C10H14ClNO — CID 170913706

IUPAC2-(azetidin-3-ylmethyl)phenol;hydrochloride
SMILESCl.Oc1ccccc1CC1CNC1
InChIInChI=1S/C10H13NO.ClH/c12-10-4-2-1-3-9(10)5-8-6-11-7-8;/h1-4,8,11-12H,5-7H2;1H
InChIKeyHNXPVKPWBIGQKR-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.58
Rot. Bonds2

About 2-(azetidin-3-ylmethyl)phenol;hydrochloride

2-(azetidin-3-ylmethyl)phenol;hydrochloride (PubChem CID 170913706) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)phenol;hydrochloride
PubChem CID170913706
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(azetidin-3-ylmethyl)phenol;hydrochloride
SMILESCl.Oc1ccccc1CC1CNC1
InChIInChI=1S/C10H13NO.ClH/c12-10-4-2-1-3-9(10)5-8-6-11-7-8;/h1-4,8,11-12H,5-7H2;1H
InChIKeyHNXPVKPWBIGQKR-UHFFFAOYSA-N
XLogP1.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
2-(cyclopropylmethyl)phenol
CID 23014132
2-(cyclobutylmethyl)phenol
CID 115012772
3-benzylazetidine;hydrochloride
CID 54592835
2-[(5,5-dimethylpyrrolidin-3-yl)methyl]phenol
CID 117269769
2-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol
CID 21338454
2-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol
CID 105447135
3-(1-benzofuran-3-ylmethyl)azetidine
CID 80700831
3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride
CID 54596092
4-(cyclopropylmethyl)naphthalen-1-ol
CID 70606669
5-[(2-hydroxyphenyl)methyl]azepan-4-one
CID 84684800
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)phenol;hydrochloride?
The IUPAC name of 2-(azetidin-3-ylmethyl)phenol;hydrochloride (CID 170913706) is 2-(azetidin-3-ylmethyl)phenol;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)phenol;hydrochloride?
The canonical SMILES for 2-(azetidin-3-ylmethyl)phenol;hydrochloride is Cl.Oc1ccccc1CC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)phenol;hydrochloride?
The InChIKey is HNXPVKPWBIGQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c12-10-4-2-1-3-9(10)5-8-6-11-7-8;/h1-4,8,11-12H,5-7H2;1H.
What are the key properties of 2-(azetidin-3-ylmethyl)phenol;hydrochloride?
2-(azetidin-3-ylmethyl)phenol;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)phenol;hydrochloride is sourced from PubChem (CID 170913706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).