[4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate

C14H14N2O2 — CID 44562281

IUPAC[4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate
SMILES[H]/N=C(\N)Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14N2O2/c15-14(16)18-13-7-3-11(4-8-13)9-10-1-5-12(17)6-2-10/h1-8,17H,9H2,(H3,15,16)
InChIKeyNLBCVCFTVIXDBE-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.26
Rot. Bonds3

About [4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate

[4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate (PubChem CID 44562281) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is [4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate.

Molecular Properties

Compound Name[4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate
PubChem CID44562281
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name[4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate
SMILES[H]/N=C(\N)Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14N2O2/c15-14(16)18-13-7-3-11(4-8-13)9-10-1-5-12(17)6-2-10/h1-8,17H,9H2,(H3,15,16)
InChIKeyNLBCVCFTVIXDBE-UHFFFAOYSA-N
XLogP2.26
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl) carbamimidate
CID 44562278
4-[(4-aminooxyphenyl)methyl]phenol
CID 122683282
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[[4-(sulfanylmethoxy)phenyl]methyl]phenol
CID 89039452
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
(4-benzylphenyl) 3-(4-carbamimidoylcyclohexyl)propanoate
CID 139645050
3-(4-benzylphenoxy)propanimidamide
CID 62274046
(4-benzylphenyl) 3-(4-carbamimidoylcyclohexyl)propanoate;hydrochloride
CID 139645049
2-(4-benzylphenoxy)propanimidamide
CID 55054330
4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
CID 20685429
(4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate
CID 174247627

Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate?
The IUPAC name of [4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate (CID 44562281) is [4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate.
What is the SMILES notation for [4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate?
The canonical SMILES for [4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate is [H]/N=C(\N)Oc1ccc(Cc2ccc(O)cc2)cc1.
What is the InChIKey of [4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate?
The InChIKey is NLBCVCFTVIXDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-14(16)18-13-7-3-11(4-8-13)9-10-1-5-12(17)6-2-10/h1-8,17H,9H2,(H3,15,16).
What are the key properties of [4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate?
[4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate has a molecular weight of 242.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydroxyphenyl)methyl]phenyl] carbamimidate is sourced from PubChem (CID 44562281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).