2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol

C28H26N2O2 — CID 141339608

IUPAC2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol
SMILESOc1ccccc1C/N=C1\C=CC(C=Cc2ccccc2)/C(=N/Cc2ccccc2O)C1
InChIInChI=1S/C28H26N2O2/c31-27-12-6-4-10-23(27)19-29-25-17-16-22(15-14-21-8-2-1-3-9-21)26(18-25)30-20-24-11-5-7-13-28(24)32/h1-17,22,31-32H,18-20H2/b15-14?,29-25+,30-26+
InChIKeySMVFZXJTDFBLAT-QAFMCUKPSA-N
MW422.53 g/mol
LogP5.97
Rot. Bonds6

About 2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol

2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol (PubChem CID 141339608) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol
PubChem CID141339608
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol
SMILESOc1ccccc1C/N=C1\C=CC(C=Cc2ccccc2)/C(=N/Cc2ccccc2O)C1
InChIInChI=1S/C28H26N2O2/c31-27-12-6-4-10-23(27)19-29-25-17-16-22(15-14-21-8-2-1-3-9-21)26(18-25)30-20-24-11-5-7-13-28(24)32/h1-17,22,31-32H,18-20H2/b15-14?,29-25+,30-26+
InChIKeySMVFZXJTDFBLAT-QAFMCUKPSA-N
XLogP5.97
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol with MolForge

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Related Compounds

3-[(E)-2-phenylethenyl]oxetane
CID 132578776
N-(3-bromopropyl)-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
CID 69399629
N-(3-chloropropyl)-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
CID 70264914
3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
[6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea
CID 69170417
N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
CID 140968860
2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
CID 174984741
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
[(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol
CID 166936172
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361461
2-[[2-(3-phenylprop-2-enylamino)ethylamino]methyl]phenol
CID 70598852

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol?
The IUPAC name of 2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol (CID 141339608) is 2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol.
What is the SMILES notation for 2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol?
The canonical SMILES for 2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol is Oc1ccccc1C/N=C1\C=CC(C=Cc2ccccc2)/C(=N/Cc2ccccc2O)C1.
What is the InChIKey of 2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol?
The InChIKey is SMVFZXJTDFBLAT-QAFMCUKPSA-N. The full InChI is InChI=1S/C28H26N2O2/c31-27-12-6-4-10-23(27)19-29-25-17-16-22(15-14-21-8-2-1-3-9-21)26(18-25)30-20-24-11-5-7-13-28(24)32/h1-17,22,31-32H,18-20H2/b15-14?,29-25+,30-26+.
What are the key properties of 2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol?
2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol has a molecular weight of 422.53 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-[(2-hydroxyphenyl)methylimino]-4-(2-phenylethenyl)cyclohex-2-en-1-ylidene]amino]methyl]phenol is sourced from PubChem (CID 141339608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).