[3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol

C17H19NO — CID 104549638

IUPAC[3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol
SMILESOCc1cccc(CN2CC(c3ccccc3)C2)c1
InChIInChI=1S/C17H19NO/c19-13-15-6-4-5-14(9-15)10-18-11-17(12-18)16-7-2-1-3-8-16/h1-9,17,19H,10-13H2
InChIKeyFSKSTTYTTVQSOU-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.78
Rot. Bonds4

About [3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol

[3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol (PubChem CID 104549638) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is [3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol
PubChem CID104549638
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name[3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol
SMILESOCc1cccc(CN2CC(c3ccccc3)C2)c1
InChIInChI=1S/C17H19NO/c19-13-15-6-4-5-14(9-15)10-18-11-17(12-18)16-7-2-1-3-8-16/h1-9,17,19H,10-13H2
InChIKeyFSKSTTYTTVQSOU-UHFFFAOYSA-N
XLogP2.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1-benzyl-5-phenylpiperidin-3-ol
CID 12900714
[3-(piperazin-1-ylmethyl)phenyl]methanol
CID 23023149
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid
CID 79978496
[3-[(3-phenylcyclobutyl)amino]phenyl]methanol
CID 43715189
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
(1S,5R)-3-benzyl-6-(3-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane
CID 166708556
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
(3R,4S)-1-benzyl-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 46839560
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756

Frequently Asked Questions

What is the IUPAC name of [3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol?
The IUPAC name of [3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol (CID 104549638) is [3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol is OCc1cccc(CN2CC(c3ccccc3)C2)c1.
What is the InChIKey of [3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol?
The InChIKey is FSKSTTYTTVQSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-13-15-6-4-5-14(9-15)10-18-11-17(12-18)16-7-2-1-3-8-16/h1-9,17,19H,10-13H2.
What are the key properties of [3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol?
[3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol has a molecular weight of 253.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 104549638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).