(E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid

C25H18O4 — CID 70014901

IUPAC(E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C25H18O4/c26-20-11-8-19(9-12-20)23-15-10-18-3-1-2-4-22(18)25(23)29-21-13-5-17(6-14-21)7-16-24(27)28/h1-16,26H,(H,27,28)/b16-7+
InChIKeyYRYNFAXJYOGXBG-FRKPEAEDSA-N
MW382.42 g/mol
LogP6.10
Rot. Bonds5

About (E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid

(E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid (PubChem CID 70014901) has the molecular formula C25H18O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is (E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
PubChem CID70014901
Molecular FormulaC25H18O4
Molecular Weight382.42 g/mol
Exact Mass382.12
IUPAC Name(E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C25H18O4/c26-20-11-8-19(9-12-20)23-15-10-18-3-1-2-4-22(18)25(23)29-21-13-5-17(6-14-21)7-16-24(27)28/h1-16,26H,(H,27,28)/b16-7+
InChIKeyYRYNFAXJYOGXBG-FRKPEAEDSA-N
XLogP6.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid (CID 70014901) is (E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)ccc3ccccc23)cc1.
What is the InChIKey of (E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid?
The InChIKey is YRYNFAXJYOGXBG-FRKPEAEDSA-N. The full InChI is InChI=1S/C25H18O4/c26-20-11-8-19(9-12-20)23-15-10-18-3-1-2-4-22(18)25(23)29-21-13-5-17(6-14-21)7-16-24(27)28/h1-16,26H,(H,27,28)/b16-7+.
What are the key properties of (E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid?
(E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid has a molecular weight of 382.42 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid is sourced from PubChem (CID 70014901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).