3-(2-hydroxyethoxy)-5-methylbenzaldehyde

C10H12O3 — CID 170132633

IUPAC3-(2-hydroxyethoxy)-5-methylbenzaldehyde
SMILESCc1cc(C=O)cc(OCCO)c1
InChIInChI=1S/C10H12O3/c1-8-4-9(7-12)6-10(5-8)13-3-2-11/h4-7,11H,2-3H2,1H3
InChIKeyKSALSWKJXHNQDZ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.18
Rot. Bonds4

About 3-(2-hydroxyethoxy)-5-methylbenzaldehyde

3-(2-hydroxyethoxy)-5-methylbenzaldehyde (PubChem CID 170132633) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)-5-methylbenzaldehyde
PubChem CID170132633
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-(2-hydroxyethoxy)-5-methylbenzaldehyde
SMILESCc1cc(C=O)cc(OCCO)c1
InChIInChI=1S/C10H12O3/c1-8-4-9(7-12)6-10(5-8)13-3-2-11/h4-7,11H,2-3H2,1H3
InChIKeyKSALSWKJXHNQDZ-UHFFFAOYSA-N
XLogP1.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.18
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

2-(3-methoxy-5-methylphenoxy)ethanol
CID 59177464
4-[3-(3,5-dimethylphenoxy)propoxy]benzaldehyde
CID 2219741
3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde
CID 144776762
3-methyl-5-trimethylsilyloxybenzaldehyde
CID 131106170
3-bromo-5-methylbenzaldehyde;ethane-1,2-diol
CID 175049873
3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde
CID 122476290
3,5-bis(2-aminoethoxy)benzaldehyde
CID 89220527
3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde
CID 123229702
3,5-didodecoxybenzaldehyde
CID 23127431
(3-formyl-5-methylphenyl) trifluoromethanesulfonate
CID 122476307
4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
CID 61071247
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxy)-5-methylbenzaldehyde?
The IUPAC name of 3-(2-hydroxyethoxy)-5-methylbenzaldehyde (CID 170132633) is 3-(2-hydroxyethoxy)-5-methylbenzaldehyde.
What is the SMILES notation for 3-(2-hydroxyethoxy)-5-methylbenzaldehyde?
The canonical SMILES for 3-(2-hydroxyethoxy)-5-methylbenzaldehyde is Cc1cc(C=O)cc(OCCO)c1.
What is the InChIKey of 3-(2-hydroxyethoxy)-5-methylbenzaldehyde?
The InChIKey is KSALSWKJXHNQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-8-4-9(7-12)6-10(5-8)13-3-2-11/h4-7,11H,2-3H2,1H3.
What are the key properties of 3-(2-hydroxyethoxy)-5-methylbenzaldehyde?
3-(2-hydroxyethoxy)-5-methylbenzaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)-5-methylbenzaldehyde is sourced from PubChem (CID 170132633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).