(2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid

C18H16O4 — CID 148547840

IUPAC(2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid
SMILESO=C(O)/C(CC=Cc1ccccc1)=C(\O)c1ccc(O)cc1
InChIInChI=1S/C18H16O4/c19-15-11-9-14(10-12-15)17(20)16(18(21)22)8-4-7-13-5-2-1-3-6-13/h1-7,9-12,19-20H,8H2,(H,21,22)/b7-4?,17-16-
InChIKeyNFDYVAIYYMAOMP-BPXWQGQSSA-N
MW296.32 g/mol
LogP3.85
Rot. Bonds5

About (2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid

(2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid (PubChem CID 148547840) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid
PubChem CID148547840
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid
SMILESO=C(O)/C(CC=Cc1ccccc1)=C(\O)c1ccc(O)cc1
InChIInChI=1S/C18H16O4/c19-15-11-9-14(10-12-15)17(20)16(18(21)22)8-4-7-13-5-2-1-3-6-13/h1-7,9-12,19-20H,8H2,(H,21,22)/b7-4?,17-16-
InChIKeyNFDYVAIYYMAOMP-BPXWQGQSSA-N
XLogP3.85
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
3-phenylprop-2-enyl 3-hydroxybenzoate
CID 71953563
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519
3-phenylprop-2-enyl 4-formylbenzoate
CID 163212040
zinc bis(4-phenylbut-3-enoate)
CID 66673127
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one
CID 72722749
4-phenylbut-3-enehydrazide
CID 173237990
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid?
The IUPAC name of (2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid (CID 148547840) is (2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid.
What is the SMILES notation for (2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid?
The canonical SMILES for (2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid is O=C(O)/C(CC=Cc1ccccc1)=C(\O)c1ccc(O)cc1.
What is the InChIKey of (2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid?
The InChIKey is NFDYVAIYYMAOMP-BPXWQGQSSA-N. The full InChI is InChI=1S/C18H16O4/c19-15-11-9-14(10-12-15)17(20)16(18(21)22)8-4-7-13-5-2-1-3-6-13/h1-7,9-12,19-20H,8H2,(H,21,22)/b7-4?,17-16-.
What are the key properties of (2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid?
(2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid has a molecular weight of 296.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid is sourced from PubChem (CID 148547840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).