(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one

C17H14O2 — CID 5468147

IUPAC(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2ccc(O)cc2)CCc2ccccc21
InChIInChI=1S/C17H14O2/c18-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)19/h1-6,9-11,18H,7-8H2/b14-11+
InChIKeySRJMKMQJTLCMRQ-SDNWHVSQSA-N
MW250.30 g/mol
LogP3.60
Rot. Bonds1

About (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one

(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 5468147) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID5468147
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2ccc(O)cc2)CCc2ccccc21
InChIInChI=1S/C17H14O2/c18-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)19/h1-6,9-11,18H,7-8H2/b14-11+
InChIKeySRJMKMQJTLCMRQ-SDNWHVSQSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one (CID 5468147) is (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one is O=C1/C(=C/c2ccc(O)cc2)CCc2ccccc21.
What is the InChIKey of (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is SRJMKMQJTLCMRQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H14O2/c18-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)19/h1-6,9-11,18H,7-8H2/b14-11+.
What are the key properties of (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 250.30 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 5468147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).