(2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one

C26H22O4 — CID 177391216

IUPAC(2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one
SMILESO=C1/C(=C\c2ccc(O)cc2)CC(c2ccc(O)cc2)C/C1=C/c1ccc(O)cc1
InChIInChI=1S/C26H22O4/c27-23-7-1-17(2-8-23)13-21-15-20(19-5-11-25(29)12-6-19)16-22(26(21)30)14-18-3-9-24(28)10-4-18/h1-14,20,27-29H,15-16H2/b21-13-,22-14-
InChIKeyFMVXDCBABRQGFZ-JZTLMNBPSA-N
MW398.46 g/mol
LogP5.42
Rot. Bonds3

About (2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one

(2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one (PubChem CID 177391216) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is (2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one
PubChem CID177391216
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name(2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one
SMILESO=C1/C(=C\c2ccc(O)cc2)CC(c2ccc(O)cc2)C/C1=C/c1ccc(O)cc1
InChIInChI=1S/C26H22O4/c27-23-7-1-17(2-8-23)13-21-15-20(19-5-11-25(29)12-6-19)16-22(26(21)30)14-18-3-9-24(28)10-4-18/h1-14,20,27-29H,15-16H2/b21-13-,22-14-
InChIKeyFMVXDCBABRQGFZ-JZTLMNBPSA-N
XLogP5.42
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[5-[(4-hydroxyphenyl)methylidene]-1,1-dimethyl-4-oxopiperidin-1-ium-3-ylidene]methyl]phenolate;hydroiodide
CID 154734911
2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one
CID 162162773
(2Z,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-tert-butylcyclohexan-1-one
CID 6380226
(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one
CID 6303931
2,6-bis[(4-fluorophenyl)methylidene]-4-methylcyclohexan-1-one
CID 3564829
(1E,3R)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
CID 143780159
(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468147
(2Z,6E)-2,6-bis[(4-tert-butylphenyl)methylidene]-4-methylcyclohexan-1-one
CID 17370191
(2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one
CID 68642647
2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-5-ol
CID 19799155
methyl 4-[(E)-[(3E)-3-[(4-methoxycarbonylphenyl)methylidene]-5-methyl-2-oxocyclohexylidene]methyl]benzoate
CID 2444541
2-(tert-butyliminomethyl)-3-hydroxy-5-(4-hydroxyphenyl)cyclohex-2-en-1-one
CID 146438355

Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of (2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one (CID 177391216) is (2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for (2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one is O=C1/C(=C\c2ccc(O)cc2)CC(c2ccc(O)cc2)C/C1=C/c1ccc(O)cc1.
What is the InChIKey of (2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one?
The InChIKey is FMVXDCBABRQGFZ-JZTLMNBPSA-N. The full InChI is InChI=1S/C26H22O4/c27-23-7-1-17(2-8-23)13-21-15-20(19-5-11-25(29)12-6-19)16-22(26(21)30)14-18-3-9-24(28)10-4-18/h1-14,20,27-29H,15-16H2/b21-13-,22-14-.
What are the key properties of (2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one?
(2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one has a molecular weight of 398.46 g/mol, XLogP of 5.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 177391216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).