ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate

C27H24O3 — CID 67357334

IUPACethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate
SMILESCCOC(=O)/C=C(/CCc1ccc2cc(O)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C27H24O3/c1-2-30-27(29)18-25(23-12-11-20-5-3-4-6-21(20)16-23)10-8-19-7-9-24-17-26(28)14-13-22(24)15-19/h3-7,9,11-18,28H,2,8,10H2,1H3/b25-18-
InChIKeyDZNNLTSJKBDIRA-BWAHOGKJSA-N
MW396.49 g/mol
LogP6.28
Rot. Bonds6

About ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate

ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate (PubChem CID 67357334) has the molecular formula C27H24O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate
PubChem CID67357334
Molecular FormulaC27H24O3
Molecular Weight396.49 g/mol
Exact Mass396.17
IUPAC Nameethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate
SMILESCCOC(=O)/C=C(/CCc1ccc2cc(O)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C27H24O3/c1-2-30-27(29)18-25(23-12-11-20-5-3-4-6-21(20)16-23)10-8-19-7-9-24-17-26(28)14-13-22(24)15-19/h3-7,9,11-18,28H,2,8,10H2,1H3/b25-18-
InChIKeyDZNNLTSJKBDIRA-BWAHOGKJSA-N
XLogP6.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.28
H-Bond Donors ≤ 51
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 ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate?
The IUPAC name of ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate (CID 67357334) is ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate.
What is the SMILES notation for ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate?
The canonical SMILES for ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate is CCOC(=O)/C=C(/CCc1ccc2cc(O)ccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate?
The InChIKey is DZNNLTSJKBDIRA-BWAHOGKJSA-N. The full InChI is InChI=1S/C27H24O3/c1-2-30-27(29)18-25(23-12-11-20-5-3-4-6-21(20)16-23)10-8-19-7-9-24-17-26(28)14-13-22(24)15-19/h3-7,9,11-18,28H,2,8,10H2,1H3/b25-18-.
What are the key properties of ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate?
ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate has a molecular weight of 396.49 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate is sourced from PubChem (CID 67357334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).