[3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol

C12H15NO — CID 143569641

IUPAC[3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol
SMILESC=N/C(C)=C\c1c(C)cccc1CO
InChIInChI=1S/C12H15NO/c1-9-5-4-6-11(8-14)12(9)7-10(2)13-3/h4-7,14H,3,8H2,1-2H3/b10-7-
InChIKeyGBAATALKJOWGNF-YFHOEESVSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds3

About [3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol

[3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol (PubChem CID 143569641) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is [3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol
PubChem CID143569641
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name[3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol
SMILESC=N/C(C)=C\c1c(C)cccc1CO
InChIInChI=1S/C12H15NO/c1-9-5-4-6-11(8-14)12(9)7-10(2)13-3/h4-7,14H,3,8H2,1-2H3/b10-7-
InChIKeyGBAATALKJOWGNF-YFHOEESVSA-N
XLogP2.55
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane
CID 145207353
2,6-bis(hydroxymethyl)benzaldehyde
CID 87930844
1-[2-ethenyl-3-(hydroxymethyl)phenyl]ethanone
CID 161129842
(2-ethyl-6-methylphenyl)methanol
CID 52987948
[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol
CID 130042268
2-methyl-6-(2-oxopropyl)benzaldehyde
CID 130792355
[2-(aminomethyl)-3-methylphenyl]methanol
CID 135377044
2-[(2,6-dimethylphenyl)methylideneamino]ethanol
CID 141084157
acetic acid;[3-(hydroxymethyl)-2-methylphenyl]methanol
CID 71387319
acetic acid;(2,6-dimethylphenyl)methanol
CID 71387321
[3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]phenyl]boronic acid
CID 143770565
2,6-dimethylbenzaldehyde
CID 159545887

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol?
The IUPAC name of [3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol (CID 143569641) is [3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol.
What is the SMILES notation for [3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol?
The canonical SMILES for [3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol is C=N/C(C)=C\c1c(C)cccc1CO.
What is the InChIKey of [3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol?
The InChIKey is GBAATALKJOWGNF-YFHOEESVSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-5-4-6-11(8-14)12(9)7-10(2)13-3/h4-7,14H,3,8H2,1-2H3/b10-7-.
What are the key properties of [3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol?
[3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol has a molecular weight of 189.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol is sourced from PubChem (CID 143569641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).