(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one

C17H14O3 — CID 5386986

IUPAC(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one
SMILESCOc1cc(/C=C2/Cc3ccccc3C2=O)ccc1O
InChIInChI=1S/C17H14O3/c1-20-16-9-11(6-7-15(16)18)8-13-10-12-4-2-3-5-14(12)17(13)19/h2-9,18H,10H2,1H3/b13-8-
InChIKeyQNLJZHBIIUWWIF-JYRVWZFOSA-N
MW266.30 g/mol
LogP3.22
Rot. Bonds2

About (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one

(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one (PubChem CID 5386986) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one
PubChem CID5386986
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one
SMILESCOc1cc(/C=C2/Cc3ccccc3C2=O)ccc1O
InChIInChI=1S/C17H14O3/c1-20-16-9-11(6-7-15(16)18)8-13-10-12-4-2-3-5-14(12)17(13)19/h2-9,18H,10H2,1H3/b13-8-
InChIKeyQNLJZHBIIUWWIF-JYRVWZFOSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.22
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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Related Compounds

(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468152
(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-3H-inden-1-one
CID 6474892
2-[(3-methoxy-4-methylsulfanylphenyl)methylidene]-3H-inden-1-one
CID 76878264
2-[(3-chloro-4-hydroxyphenyl)methylidene]-3H-inden-1-one
CID 75268539
10-[(4-hydroxy-3-methoxyphenyl)methylidene]anthracen-9-one
CID 12516081
(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one
CID 71754473
2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 11366
(2Z,7Z)-2,7-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cycloheptan-1-one
CID 177487942
(6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 969490
3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one
CID 72983742
(2E)-2-[(4-methylphenyl)methylidene]-3H-inden-1-one
CID 7064605
(2E)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-inden-1-one
CID 2697166

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one?
The IUPAC name of (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one (CID 5386986) is (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one.
What is the SMILES notation for (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one?
The canonical SMILES for (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one is COc1cc(/C=C2/Cc3ccccc3C2=O)ccc1O.
What is the InChIKey of (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one?
The InChIKey is QNLJZHBIIUWWIF-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H14O3/c1-20-16-9-11(6-7-15(16)18)8-13-10-12-4-2-3-5-14(12)17(13)19/h2-9,18H,10H2,1H3/b13-8-.
What are the key properties of (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one?
(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one has a molecular weight of 266.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 5386986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).