ethane;3-hydroxy-4-methoxybenzaldehyde

C10H14O3 — CID 145493378

IUPACethane;3-hydroxy-4-methoxybenzaldehyde
SMILESCC.COc1ccc(C=O)cc1O
InChIInChI=1S/C8H8O3.C2H6/c1-11-8-3-2-6(5-9)4-7(8)10;1-2/h2-5,10H,1H3;1-2H3
InChIKeyPVXLBBUFZUFAOY-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.24
Rot. Bonds2

About ethane;3-hydroxy-4-methoxybenzaldehyde

ethane;3-hydroxy-4-methoxybenzaldehyde (PubChem CID 145493378) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethane;3-hydroxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Nameethane;3-hydroxy-4-methoxybenzaldehyde
PubChem CID145493378
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethane;3-hydroxy-4-methoxybenzaldehyde
SMILESCC.COc1ccc(C=O)cc1O
InChIInChI=1S/C8H8O3.C2H6/c1-11-8-3-2-6(5-9)4-7(8)10;1-2/h2-5,10H,1H3;1-2H3
InChIKeyPVXLBBUFZUFAOY-UHFFFAOYSA-N
XLogP2.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.24
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

3-hydroxy-4-methoxybenzaldehyde
CID 87256894
3-hydroxy-4-methoxybenzaldehyde;4-nitrobenzaldehyde
CID 87894032
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
CID 130345281
CID 130345281
(2E,3Z)-2,3-bis[(3-hydroxy-4-methoxyphenyl)methylidene]butanedial
CID 177405847
3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
CID 53220736
5-methanimidoyl-2-methoxyphenol
CID 23221891
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
CID 86730352
CID 167405011
CID 167405011
(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
CID 10727141

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-4-methoxybenzaldehyde?
The IUPAC name of ethane;3-hydroxy-4-methoxybenzaldehyde (CID 145493378) is ethane;3-hydroxy-4-methoxybenzaldehyde.
What is the SMILES notation for ethane;3-hydroxy-4-methoxybenzaldehyde?
The canonical SMILES for ethane;3-hydroxy-4-methoxybenzaldehyde is CC.COc1ccc(C=O)cc1O.
What is the InChIKey of ethane;3-hydroxy-4-methoxybenzaldehyde?
The InChIKey is PVXLBBUFZUFAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C2H6/c1-11-8-3-2-6(5-9)4-7(8)10;1-2/h2-5,10H,1H3;1-2H3.
What are the key properties of ethane;3-hydroxy-4-methoxybenzaldehyde?
ethane;3-hydroxy-4-methoxybenzaldehyde has a molecular weight of 182.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-4-methoxybenzaldehyde is sourced from PubChem (CID 145493378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).