3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol

C19H24O3 — CID 18320548

IUPAC3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1cc(O)cc(OC)c1
InChIInChI=1S/C19H24O3/c1-21-17-9-15(8-16(20)10-17)19(22-2)18-13-4-11-3-12(6-13)7-14(18)5-11/h8-14,20H,3-7H2,1-2H3/b19-18-
InChIKeyDVCKEQYSPAPGDN-HNENSFHCSA-N
MW300.40 g/mol
LogP4.21
Rot. Bonds3

About 3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol

3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol (PubChem CID 18320548) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol
PubChem CID18320548
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1cc(O)cc(OC)c1
InChIInChI=1S/C19H24O3/c1-21-17-9-15(8-16(20)10-17)19(22-2)18-13-4-11-3-12(6-13)7-14(18)5-11/h8-14,20H,3-7H2,1-2H3/b19-18-
InChIKeyDVCKEQYSPAPGDN-HNENSFHCSA-N
XLogP4.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol?
The IUPAC name of 3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol (CID 18320548) is 3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol.
What is the SMILES notation for 3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol?
The canonical SMILES for 3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol is COC(=C1C2CC3CC(C2)CC1C3)c1cc(O)cc(OC)c1.
What is the InChIKey of 3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol?
The InChIKey is DVCKEQYSPAPGDN-HNENSFHCSA-N. The full InChI is InChI=1S/C19H24O3/c1-21-17-9-15(8-16(20)10-17)19(22-2)18-13-4-11-3-12(6-13)7-14(18)5-11/h8-14,20H,3-7H2,1-2H3/b19-18-.
What are the key properties of 3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol?
3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol has a molecular weight of 300.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol is sourced from PubChem (CID 18320548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).