7-methoxy-1H-indene-2-carbaldehyde

C11H10O2 — CID 13441475

IUPAC7-methoxy-1H-indene-2-carbaldehyde
SMILESCOc1cccc2c1CC(C=O)=C2
InChIInChI=1S/C11H10O2/c1-13-11-4-2-3-9-5-8(7-12)6-10(9)11/h2-5,7H,6H2,1H3
InChIKeyXGGXXYJZTCVWOX-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.83
Rot. Bonds2

About 7-methoxy-1H-indene-2-carbaldehyde

7-methoxy-1H-indene-2-carbaldehyde (PubChem CID 13441475) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 7-methoxy-1H-indene-2-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-1H-indene-2-carbaldehyde
PubChem CID13441475
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name7-methoxy-1H-indene-2-carbaldehyde
SMILESCOc1cccc2c1CC(C=O)=C2
InChIInChI=1S/C11H10O2/c1-13-11-4-2-3-9-5-8(7-12)6-10(9)11/h2-5,7H,6H2,1H3
InChIKeyXGGXXYJZTCVWOX-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methoxy-1H-inden-2-yl)ethanamine
CID 83829252
5-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
CID 70186189
5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 13208574
5-methoxy-3,4-dihydronaphthalene-2-carbonitrile
CID 10845215
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 84618834
4,13,22-trimethoxyheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 10694042
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021
2-formyl-3-methoxybenzonitrile
CID 122401577
2-hydroxy-3-methoxybenzaldehyde
CID 8991

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1H-indene-2-carbaldehyde?
The IUPAC name of 7-methoxy-1H-indene-2-carbaldehyde (CID 13441475) is 7-methoxy-1H-indene-2-carbaldehyde.
What is the SMILES notation for 7-methoxy-1H-indene-2-carbaldehyde?
The canonical SMILES for 7-methoxy-1H-indene-2-carbaldehyde is COc1cccc2c1CC(C=O)=C2.
What is the InChIKey of 7-methoxy-1H-indene-2-carbaldehyde?
The InChIKey is XGGXXYJZTCVWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-13-11-4-2-3-9-5-8(7-12)6-10(9)11/h2-5,7H,6H2,1H3.
What are the key properties of 7-methoxy-1H-indene-2-carbaldehyde?
7-methoxy-1H-indene-2-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1H-indene-2-carbaldehyde is sourced from PubChem (CID 13441475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).