2-(cyclopropylmethoxy)-3-iodobenzaldehyde

C11H11IO2 — CID 175686914

IUPAC2-(cyclopropylmethoxy)-3-iodobenzaldehyde
SMILESO=Cc1cccc(I)c1OCC1CC1
InChIInChI=1S/C11H11IO2/c12-10-3-1-2-9(6-13)11(10)14-7-8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKeyHSFNACRCXHWDLT-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.89
Rot. Bonds4

About 2-(cyclopropylmethoxy)-3-iodobenzaldehyde

2-(cyclopropylmethoxy)-3-iodobenzaldehyde (PubChem CID 175686914) has the molecular formula C11H11IO2 and a molecular weight of 302.11 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3-iodobenzaldehyde.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3-iodobenzaldehyde
PubChem CID175686914
Molecular FormulaC11H11IO2
Molecular Weight302.11 g/mol
Exact Mass301.98
IUPAC Name2-(cyclopropylmethoxy)-3-iodobenzaldehyde
SMILESO=Cc1cccc(I)c1OCC1CC1
InChIInChI=1S/C11H11IO2/c12-10-3-1-2-9(6-13)11(10)14-7-8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKeyHSFNACRCXHWDLT-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Flavone
CID 10680
2-Methoxybenzaldehyde
CID 8658
3-Methylchromone
CID 66569
Ethyl 2-Methoxybenzoate
CID 81784
Chromone
CID 10286
2'-Methoxyacetophenone
CID 68481
2,5-Dimethoxybenzaldehyde
CID 66726
Chromanone
CID 68110
Methyl acetylsalicylic acid
CID 68484
Benzaldehyde, 2-ethoxy-
CID 11950
3-Formylchromone
CID 87112
Benzoic acid, 2-ethoxy-, ethyl ester
CID 221644

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-3-iodobenzaldehyde?
The IUPAC name of 2-(cyclopropylmethoxy)-3-iodobenzaldehyde (CID 175686914) is 2-(cyclopropylmethoxy)-3-iodobenzaldehyde.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3-iodobenzaldehyde?
The canonical SMILES for 2-(cyclopropylmethoxy)-3-iodobenzaldehyde is O=Cc1cccc(I)c1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-3-iodobenzaldehyde?
The InChIKey is HSFNACRCXHWDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO2/c12-10-3-1-2-9(6-13)11(10)14-7-8-4-5-8/h1-3,6,8H,4-5,7H2.
What are the key properties of 2-(cyclopropylmethoxy)-3-iodobenzaldehyde?
2-(cyclopropylmethoxy)-3-iodobenzaldehyde has a molecular weight of 302.11 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3-iodobenzaldehyde is sourced from PubChem (CID 175686914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).