(3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate

C15H16O3 — CID 126707992

IUPAC(3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
SMILESC/C=C\C=C(/C=C\C)C(=O)Oc1cccc(O)c1
InChIInChI=1S/C15H16O3/c1-3-5-8-12(7-4-2)15(17)18-14-10-6-9-13(16)11-14/h3-11,16H,1-2H3/b5-3-,7-4-,12-8+
InChIKeyAZJDWNAKBRXHQP-RAEMRTJTSA-N
MW244.29 g/mol
LogP3.38
Rot. Bonds4

About (3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate

(3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate (PubChem CID 126707992) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate.

Molecular Properties

Compound Name(3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
PubChem CID126707992
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
SMILESC/C=C\C=C(/C=C\C)C(=O)Oc1cccc(O)c1
InChIInChI=1S/C15H16O3/c1-3-5-8-12(7-4-2)15(17)18-14-10-6-9-13(16)11-14/h3-11,16H,1-2H3/b5-3-,7-4-,12-8+
InChIKeyAZJDWNAKBRXHQP-RAEMRTJTSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxyphenyl) 2-oxopropanoate
CID 22361380
(3-hydroxyphenyl) 4-methyl-2-propan-2-ylidenepent-3-enoate
CID 88872517
(3-hydroxyphenyl) 2-oxoacetate
CID 174444543
(Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid
CID 150587214
1-O-ethyl 4-O-[2-(3-hydroxyphenoxy)-2-oxoethyl] (Z)-but-2-enedioate
CID 69125146
[4-[4-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyphenoxy]phenyl] (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoate
CID 129259222
bis(3-hydroxyphenyl) 2,3-dihydroxybutanedioate
CID 66768995
(3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 101102620
3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline
CID 142867321
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
[4-[4-[(2E)-1-hydroxy-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]phenoxy]phenyl] (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoate
CID 126634467
(4-ethylphenyl) (2E,4Z)-2-ethenylhexa-2,4-dienoate;methane
CID 144955249

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate?
The IUPAC name of (3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate (CID 126707992) is (3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate.
What is the SMILES notation for (3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate?
The canonical SMILES for (3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate is C/C=C\C=C(/C=C\C)C(=O)Oc1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate?
The InChIKey is AZJDWNAKBRXHQP-RAEMRTJTSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-5-8-12(7-4-2)15(17)18-14-10-6-9-13(16)11-14/h3-11,16H,1-2H3/b5-3-,7-4-,12-8+.
What are the key properties of (3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate?
(3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate has a molecular weight of 244.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate is sourced from PubChem (CID 126707992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).