(3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde

C18H14O2 — CID 177419708

IUPAC(3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde
SMILESCOc1ccc(/C=C2/C=C(C=O)c3ccccc32)cc1
InChIInChI=1S/C18H14O2/c1-20-16-8-6-13(7-9-16)10-14-11-15(12-19)18-5-3-2-4-17(14)18/h2-12H,1H3/b14-10-
InChIKeyDDCVITMEOJWETR-UVTDQMKNSA-N
MW262.31 g/mol
LogP3.83
Rot. Bonds3

About (3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde

(3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde (PubChem CID 177419708) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde.

Molecular Properties

Compound Name(3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde
PubChem CID177419708
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name(3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde
SMILESCOc1ccc(/C=C2/C=C(C=O)c3ccccc32)cc1
InChIInChI=1S/C18H14O2/c1-20-16-8-6-13(7-9-16)10-14-11-15(12-19)18-5-3-2-4-17(14)18/h2-12H,1H3/b14-10-
InChIKeyDDCVITMEOJWETR-UVTDQMKNSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59770212
(3Z)-3-[(4-methoxyphenyl)methylidene]-1-methylindol-1-ium tetrafluoroborate
CID 139094403
4-methoxybenzaldehyde;toluene
CID 174462701
4-[(4-methoxyphenyl)methylidene]isochromene-1,3-dione
CID 3102747
fluorobenzene;4-methoxybenzaldehyde
CID 175119443
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 20980047
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
2-[(4-methoxyphenyl)methylidene]-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide
CID 139083181
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde?
The IUPAC name of (3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde (CID 177419708) is (3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde.
What is the SMILES notation for (3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde?
The canonical SMILES for (3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde is COc1ccc(/C=C2/C=C(C=O)c3ccccc32)cc1.
What is the InChIKey of (3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde?
The InChIKey is DDCVITMEOJWETR-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H14O2/c1-20-16-8-6-13(7-9-16)10-14-11-15(12-19)18-5-3-2-4-17(14)18/h2-12H,1H3/b14-10-.
What are the key properties of (3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde?
(3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde is sourced from PubChem (CID 177419708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).