2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde

C10H12O3 — CID 87669895

IUPAC2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde
SMILESCCOc1ccc(CC=O)c(O)c1
InChIInChI=1S/C10H12O3/c1-2-13-9-4-3-8(5-6-11)10(12)7-9/h3-4,6-7,12H,2,5H2,1H3
InChIKeyCSKLZSAMOXIDDK-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.53
Rot. Bonds4

About 2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde

2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde (PubChem CID 87669895) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde
PubChem CID87669895
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde
SMILESCCOc1ccc(CC=O)c(O)c1
InChIInChI=1S/C10H12O3/c1-2-13-9-4-3-8(5-6-11)10(12)7-9/h3-4,6-7,12H,2,5H2,1H3
InChIKeyCSKLZSAMOXIDDK-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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-(2-acetyl-5-ethoxyphenyl)acetaldehyde
CID 53375331
3-(4-ethoxy-2-fluorophenyl)propanal
CID 117286118
5-ethoxy-2-hexylphenol
CID 3021981
6-ethoxy-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101076460
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
CID 166062863
2-(2-ethoxy-5-fluorophenyl)acetaldehyde
CID 83876013
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde
CID 87795646
5-ethoxy-2-(1-hydroxyethyl)phenol
CID 152793520
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
2-ethyl-5-(4-methoxybutoxy)phenol
CID 135193551

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde (CID 87669895) is 2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde is CCOc1ccc(CC=O)c(O)c1.
What is the InChIKey of 2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde?
The InChIKey is CSKLZSAMOXIDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-13-9-4-3-8(5-6-11)10(12)7-9/h3-4,6-7,12H,2,5H2,1H3.
What are the key properties of 2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde?
2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 87669895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).