3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde

C14H17ClO3 — CID 112611355

IUPAC3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCC1(O)CCCCC1
InChIInChI=1S/C14H17ClO3/c15-12-6-4-5-11(9-16)13(12)18-10-14(17)7-2-1-3-8-14/h4-6,9,17H,1-3,7-8,10H2
InChIKeyGEYZGUOBHRGQHY-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.23
Rot. Bonds4

About 3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde

3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde (PubChem CID 112611355) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde
PubChem CID112611355
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCC1(O)CCCCC1
InChIInChI=1S/C14H17ClO3/c15-12-6-4-5-11(9-16)13(12)18-10-14(17)7-2-1-3-8-14/h4-6,9,17H,1-3,7-8,10H2
InChIKeyGEYZGUOBHRGQHY-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol
CID 112607841
2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731
2-(2-chloro-6-formylphenoxy)acetamide
CID 112611424
3-chloro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 112611214
3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
4-(2-chloro-6-formylphenoxy)-N-methylbutanamide
CID 112611484
3-(2-chloro-6-formylphenoxy)-N-methylpropanamide
CID 112611514
3-chloro-2-[(3,3-difluorocyclopentyl)methoxy]benzaldehyde
CID 114224106
3-chloro-2-(2-ethylbutoxy)benzaldehyde
CID 112611417
3-chloro-2-(cyclopropylmethoxymethoxy)benzaldehyde
CID 106929631
2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide
CID 112611471
3-chloro-2-(3-ethoxypropoxy)benzaldehyde
CID 112611490

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde?
The IUPAC name of 3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde (CID 112611355) is 3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde is O=Cc1cccc(Cl)c1OCC1(O)CCCCC1.
What is the InChIKey of 3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde?
The InChIKey is GEYZGUOBHRGQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c15-12-6-4-5-11(9-16)13(12)18-10-14(17)7-2-1-3-8-14/h4-6,9,17H,1-3,7-8,10H2.
What are the key properties of 3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde?
3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde has a molecular weight of 268.74 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde is sourced from PubChem (CID 112611355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).