3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde

C12H13ClO3 — CID 106929631

IUPAC3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCOCC1CC1
InChIInChI=1S/C12H13ClO3/c13-11-3-1-2-10(6-14)12(11)16-8-15-7-9-4-5-9/h1-3,6,9H,4-5,7-8H2
InChIKeyGDSKLGLSQDMBGX-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.92
Rot. Bonds6

About 3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde

3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde (PubChem CID 106929631) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde
PubChem CID106929631
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCOCC1CC1
InChIInChI=1S/C12H13ClO3/c13-11-3-1-2-10(6-14)12(11)16-8-15-7-9-4-5-9/h1-3,6,9H,4-5,7-8H2
InChIKeyGDSKLGLSQDMBGX-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[3-chloro-2-(cyclopropylmethoxymethoxy)phenyl]prop-2-enoic acid
CID 106929952
3-chloro-2-[(3,3-difluorocyclopentyl)methoxy]benzaldehyde
CID 114224106
3-chloro-2-(3-ethoxypropoxy)benzaldehyde
CID 112611490
N-[[3-chloro-2-(cyclopropylmethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 106929415
2-(cyclopropylmethoxy)-3-iodobenzaldehyde
CID 175686914
3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde
CID 107738292
2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731
3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
2-(2-chloro-6-formylphenoxy)acetamide
CID 112611424
3-chloro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 112611214
3-chloro-2-(2-ethylbutoxy)benzaldehyde
CID 112611417
3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde
CID 112611355

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde?
The IUPAC name of 3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde (CID 106929631) is 3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde?
The canonical SMILES for 3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde is O=Cc1cccc(Cl)c1OCOCC1CC1.
What is the InChIKey of 3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde?
The InChIKey is GDSKLGLSQDMBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c13-11-3-1-2-10(6-14)12(11)16-8-15-7-9-4-5-9/h1-3,6,9H,4-5,7-8H2.
What are the key properties of 3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde?
3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde has a molecular weight of 240.69 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde is sourced from PubChem (CID 106929631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).