2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde

C19H22O3 — CID 153467383

IUPAC2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1cc(O)ccc1C=O
InChIInChI=1S/C19H22O3/c1-22-19(17-9-16(21)3-2-13(17)10-20)18-14-5-11-4-12(7-14)8-15(18)6-11/h2-3,9-12,14-15,21H,4-8H2,1H3/b19-18-
InChIKeyBNMIOXWVMIWMNV-HNENSFHCSA-N
MW298.38 g/mol
LogP4.02
Rot. Bonds3

About 2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde

2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde (PubChem CID 153467383) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde
PubChem CID153467383
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1cc(O)ccc1C=O
InChIInChI=1S/C19H22O3/c1-22-19(17-9-16(21)3-2-13(17)10-20)18-14-5-11-4-12(7-14)8-15(18)6-11/h2-3,9-12,14-15,21H,4-8H2,1H3/b19-18-
InChIKeyBNMIOXWVMIWMNV-HNENSFHCSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[2-adamantylidene(methoxy)methyl]-4-bromophenol
CID 174997731
methyl (E)-3-[4-[2-adamantylidene(methoxy)methyl]-5-formyl-2-methylphenyl]prop-2-enoate
CID 159221128
6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol
CID 14645568
(E)-4-[4-[2-adamantylidene(methoxy)methyl]-2-hydroxyphenyl]but-3-en-2-one
CID 158264300
2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde;(2E)-2-[2-[(E)-2-[4-hydroxy-2-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl]ethenyl]chromen-4-ylidene]-2-isocyanoacetonitrile;2-(2-methylchromen-4-ylidene)propanedinitrile
CID 161277866
3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol
CID 18320548
3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol
CID 130296708
ethane;4-hydroxyphthalaldehyde
CID 90973394
[3-[2-adamantylidene(methoxy)methyl]phenyl] prop-2-enyl carbonate
CID 154710843
3-[(5-chloro-2-adamantylidene)-methoxymethyl]phenol
CID 54202012
CID 59050383
CID 59050383
2-[3-[2-adamantylidene(methoxy)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14836161

Frequently Asked Questions

What is the IUPAC name of 2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde?
The IUPAC name of 2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde (CID 153467383) is 2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde.
What is the SMILES notation for 2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde?
The canonical SMILES for 2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde is COC(=C1C2CC3CC(C2)CC1C3)c1cc(O)ccc1C=O.
What is the InChIKey of 2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde?
The InChIKey is BNMIOXWVMIWMNV-HNENSFHCSA-N. The full InChI is InChI=1S/C19H22O3/c1-22-19(17-9-16(21)3-2-13(17)10-20)18-14-5-11-4-12(7-14)8-15(18)6-11/h2-3,9-12,14-15,21H,4-8H2,1H3/b19-18-.
What are the key properties of 2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde?
2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde has a molecular weight of 298.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde is sourced from PubChem (CID 153467383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).