11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid

C17H16O3 — CID 91104661

IUPAC11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid
SMILESO=C(O)C=CC=CC=CC=CC=Cc1ccc(O)cc1
InChIInChI=1S/C17H16O3/c18-16-13-11-15(12-14-16)9-7-5-3-1-2-4-6-8-10-17(19)20/h1-14,18H,(H,19,20)
InChIKeyXAOZSALWBPQKOA-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.71
Rot. Bonds6

About 11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid

11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid (PubChem CID 91104661) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid.

Molecular Properties

Compound Name11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid
PubChem CID91104661
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid
SMILESO=C(O)C=CC=CC=CC=CC=Cc1ccc(O)cc1
InChIInChI=1S/C17H16O3/c18-16-13-11-15(12-14-16)9-7-5-3-1-2-4-6-8-10-17(19)20/h1-14,18H,(H,19,20)
InChIKeyXAOZSALWBPQKOA-UHFFFAOYSA-N
XLogP3.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenylphenol;5-phenylpenta-2,4-dienoic acid
CID 86612192
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
tris(3-(4-hydroxyphenyl)prop-2-enoic acid);lanthanum
CID 153328544
5-(4-bromophenyl)penta-2,4-dienoic acid
CID 582037
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 68584496
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
(2E,4Z)-5-(3,5-dihydroxyphenyl)penta-2,4-dienoic acid
CID 170990383
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 159734710

Frequently Asked Questions

What is the IUPAC name of 11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid?
The IUPAC name of 11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid (CID 91104661) is 11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid.
What is the SMILES notation for 11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid?
The canonical SMILES for 11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid is O=C(O)C=CC=CC=CC=CC=Cc1ccc(O)cc1.
What is the InChIKey of 11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid?
The InChIKey is XAOZSALWBPQKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-16-13-11-15(12-14-16)9-7-5-3-1-2-4-6-8-10-17(19)20/h1-14,18H,(H,19,20).
What are the key properties of 11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid?
11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid is sourced from PubChem (CID 91104661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).