3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol

C18H22O5 — CID 175369176

IUPAC3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol
SMILESCCOc1cc(C=O)ccc1O.CCOc1ccc(CO)cc1
InChIInChI=1S/C9H10O3.C9H12O2/c1-2-12-9-5-7(6-10)3-4-8(9)11;1-2-11-9-5-3-8(7-10)4-6-9/h3-6,11H,2H2,1H3;3-6,10H,2,7H2,1H3
InChIKeyOLHJUQSBUODUGN-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.18
Rot. Bonds6

About 3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol

3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol (PubChem CID 175369176) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol.

Molecular Properties

Compound Name3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol
PubChem CID175369176
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol
SMILESCCOc1cc(C=O)ccc1O.CCOc1ccc(CO)cc1
InChIInChI=1S/C9H10O3.C9H12O2/c1-2-12-9-5-7(6-10)3-4-8(9)11;1-2-11-9-5-3-8(7-10)4-6-9/h3-6,11H,2H2,1H3;3-6,10H,2,7H2,1H3
InChIKeyOLHJUQSBUODUGN-UHFFFAOYSA-N
XLogP3.18
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid
CID 88605667
but-3-enoic acid;3-ethoxy-4-hydroxybenzaldehyde
CID 174907200
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
(E)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enal
CID 82362855
benzaldehyde;2-ethoxybenzene-1,4-diol
CID 159645341
3-ethoxy-5-(hydroxymethyl)benzaldehyde
CID 22039032
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
4-(2,2-dichloroethenyl)-2-ethoxyphenol
CID 87569986
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235410
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
CID 25120528

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol?
The IUPAC name of 3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol (CID 175369176) is 3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol.
What is the SMILES notation for 3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol?
The canonical SMILES for 3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol is CCOc1cc(C=O)ccc1O.CCOc1ccc(CO)cc1.
What is the InChIKey of 3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol?
The InChIKey is OLHJUQSBUODUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C9H12O2/c1-2-12-9-5-7(6-10)3-4-8(9)11;1-2-11-9-5-3-8(7-10)4-6-9/h3-6,11H,2H2,1H3;3-6,10H,2,7H2,1H3.
What are the key properties of 3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol?
3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol has a molecular weight of 318.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol is sourced from PubChem (CID 175369176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).