2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde

C15H14O4 — CID 90458250

IUPAC2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
SMILESCOc1cc(OCc2ccccc2)cc(O)c1C=O
InChIInChI=1S/C15H14O4/c1-18-15-8-12(7-14(17)13(15)9-16)19-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3
InChIKeyIGHNNURJPWZLMF-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.79
Rot. Bonds5

About 2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde

2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde (PubChem CID 90458250) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
PubChem CID90458250
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
SMILESCOc1cc(OCc2ccccc2)cc(O)c1C=O
InChIInChI=1S/C15H14O4/c1-18-15-8-12(7-14(17)13(15)9-16)19-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3
InChIKeyIGHNNURJPWZLMF-UHFFFAOYSA-N
XLogP2.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826440
2,3-dihydroxy-6-phenylmethoxybenzaldehyde
CID 174450407
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
1-(2,4-dimethoxyphenyl)-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826677
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde (CID 90458250) is 2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde is COc1cc(OCc2ccccc2)cc(O)c1C=O.
What is the InChIKey of 2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde?
The InChIKey is IGHNNURJPWZLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-15-8-12(7-14(17)13(15)9-16)19-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3.
What are the key properties of 2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde?
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde has a molecular weight of 258.27 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 90458250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).