3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol

C17H20O2 — CID 130296708

IUPAC3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol
SMILESCO/C(=C1\C2CC3CC(C2)C1C3)c1cccc(O)c1
InChIInChI=1S/C17H20O2/c1-19-17(11-3-2-4-14(18)9-11)16-13-6-10-5-12(8-13)15(16)7-10/h2-4,9-10,12-13,15,18H,5-8H2,1H3/b17-16+
InChIKeyGORMSVJGUVXAND-WUKNDPDISA-N
MW256.34 g/mol
LogP3.82
Rot. Bonds2

About 3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol

3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol (PubChem CID 130296708) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol.

Molecular Properties

Compound Name3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol
PubChem CID130296708
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol
SMILESCO/C(=C1\C2CC3CC(C2)C1C3)c1cccc(O)c1
InChIInChI=1S/C17H20O2/c1-19-17(11-3-2-4-14(18)9-11)16-13-6-10-5-12(8-13)15(16)7-10/h2-4,9-10,12-13,15,18H,5-8H2,1H3/b17-16+
InChIKeyGORMSVJGUVXAND-WUKNDPDISA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-2-adamantylidene)-methoxymethyl]phenol
CID 54202012
6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol
CID 14645568
3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol
CID 18320548
3-[2-adamantylidene(methoxy)methyl]-4-bromophenol
CID 174997731
3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol
CID 132554060
methyl 2-(3-hydroxyphenyl)-2-oxoacetate
CID 19099743
CID 59050383
CID 59050383
2-[2-adamantylidene(methoxy)methyl]-4-hydroxybenzaldehyde
CID 153467383
(E)-4-[4-[2-adamantylidene(methoxy)methyl]-2-hydroxyphenyl]but-3-en-2-one
CID 158264300
[3-[2-adamantylidene(methoxy)methyl]phenyl] prop-2-enyl carbonate
CID 154710843
2-[(3-chloro-5-methoxyphenyl)-methoxymethylidene]adamantane
CID 22948017
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol?
The IUPAC name of 3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol (CID 130296708) is 3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol.
What is the SMILES notation for 3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol?
The canonical SMILES for 3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol is CO/C(=C1\C2CC3CC(C2)C1C3)c1cccc(O)c1.
What is the InChIKey of 3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol?
The InChIKey is GORMSVJGUVXAND-WUKNDPDISA-N. The full InChI is InChI=1S/C17H20O2/c1-19-17(11-3-2-4-14(18)9-11)16-13-6-10-5-12(8-13)15(16)7-10/h2-4,9-10,12-13,15,18H,5-8H2,1H3/b17-16+.
What are the key properties of 3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol?
3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol has a molecular weight of 256.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-methoxy(2-tricyclo[3.3.1.03,7]nonanylidene)methyl]phenol is sourced from PubChem (CID 130296708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).