benzaldehyde;2-ethoxybenzene-1,4-diol

C15H16O4 — CID 159645341

IUPACbenzaldehyde;2-ethoxybenzene-1,4-diol
SMILESCCOc1cc(O)ccc1O.O=Cc1ccccc1
InChIInChI=1S/C8H10O3.C7H6O/c1-2-11-8-5-6(9)3-4-7(8)10;8-6-7-4-2-1-3-5-7/h3-5,9-10H,2H2,1H3;1-6H
InChIKeyMQWRMGMZQNBECC-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.00
Rot. Bonds3

About benzaldehyde;2-ethoxybenzene-1,4-diol

benzaldehyde;2-ethoxybenzene-1,4-diol (PubChem CID 159645341) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is benzaldehyde;2-ethoxybenzene-1,4-diol.

Molecular Properties

Compound Namebenzaldehyde;2-ethoxybenzene-1,4-diol
PubChem CID159645341
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namebenzaldehyde;2-ethoxybenzene-1,4-diol
SMILESCCOc1cc(O)ccc1O.O=Cc1ccccc1
InChIInChI=1S/C8H10O3.C7H6O/c1-2-11-8-5-6(9)3-4-7(8)10;8-6-7-4-2-1-3-5-7/h3-5,9-10H,2H2,1H3;1-6H
InChIKeyMQWRMGMZQNBECC-UHFFFAOYSA-N
XLogP3.00
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
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
3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol
CID 175369176
2-ethoxy-4,6-dihydroxybenzaldehyde
CID 130024854
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
benzaldehyde;3,4-dihydroxybenzaldehyde
CID 160880582
4-amino-2-ethoxyphenol
CID 12856010
(1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one
CID 171390733
2-ethoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol;oxalic acid
CID 171151229
2-ethoxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol;oxalic acid
CID 163327109

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;2-ethoxybenzene-1,4-diol?
The IUPAC name of benzaldehyde;2-ethoxybenzene-1,4-diol (CID 159645341) is benzaldehyde;2-ethoxybenzene-1,4-diol.
What is the SMILES notation for benzaldehyde;2-ethoxybenzene-1,4-diol?
The canonical SMILES for benzaldehyde;2-ethoxybenzene-1,4-diol is CCOc1cc(O)ccc1O.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;2-ethoxybenzene-1,4-diol?
The InChIKey is MQWRMGMZQNBECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.C7H6O/c1-2-11-8-5-6(9)3-4-7(8)10;8-6-7-4-2-1-3-5-7/h3-5,9-10H,2H2,1H3;1-6H.
What are the key properties of benzaldehyde;2-ethoxybenzene-1,4-diol?
benzaldehyde;2-ethoxybenzene-1,4-diol has a molecular weight of 260.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;2-ethoxybenzene-1,4-diol is sourced from PubChem (CID 159645341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).