(1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene

C17H20O — CID 102176616

IUPAC(1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene
SMILESCOCC1=C(c2ccccc2)[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C17H20O/c1-18-10-14-15(11-5-3-2-4-6-11)17-13-8-7-12(9-13)16(14)17/h2-6,12-13,16-17H,7-10H2,1H3/t12-,13+,16-,17+/m1/s1
InChIKeyAEVOIMJSVWNSBD-GFOFROLCSA-N
MW240.35 g/mol
LogP3.76
Rot. Bonds3

About (1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene

(1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene (PubChem CID 102176616) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is (1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene.

Molecular Properties

Compound Name(1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene
PubChem CID102176616
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name(1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene
SMILESCOCC1=C(c2ccccc2)[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C17H20O/c1-18-10-14-15(11-5-3-2-4-6-11)17-13-8-7-12(9-13)16(14)17/h2-6,12-13,16-17H,7-10H2,1H3/t12-,13+,16-,17+/m1/s1
InChIKeyAEVOIMJSVWNSBD-GFOFROLCSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diphenyltricyclo[4.2.1.02,5]non-3-ene
CID 85345194
4-methyl-5-phenyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 72800982
(1S,2R,6S,7R)-5-[4-(dimethylamino)phenyl]-4-phenyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 102307973
(1R,2S,6R,7S)-4-(1-methylindol-3-yl)-5-phenyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 53377355
2,3-diphenylbicyclo[2.2.1]hept-2-ene
CID 14908753
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
methyl 4-(4-methoxyphenyl)tricyclo[4.2.1.02,5]non-3-ene-3-carboxylate
CID 73067038
methyl (1R,2S,5R,6S)-4-(4-methoxyphenyl)tricyclo[4.2.1.02,5]non-3-ene-3-carboxylate
CID 102176617
3-O-ethyl 8-O-methyl (1R,2S,5R,6R,8R)-4-phenyltricyclo[4.2.1.02,5]non-3-ene-3,8-dicarboxylate
CID 101083927
5-(methoxymethyl)-2-methyl-3-phenylthiophene
CID 58250213
[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]heptanyl]methanamine
CID 10633650
methoxymethylbenzene;vanadium
CID 167445376

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene?
The IUPAC name of (1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene (CID 102176616) is (1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene.
What is the SMILES notation for (1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene?
The canonical SMILES for (1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene is COCC1=C(c2ccccc2)[C@@H]2[C@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene?
The InChIKey is AEVOIMJSVWNSBD-GFOFROLCSA-N. The full InChI is InChI=1S/C17H20O/c1-18-10-14-15(11-5-3-2-4-6-11)17-13-8-7-12(9-13)16(14)17/h2-6,12-13,16-17H,7-10H2,1H3/t12-,13+,16-,17+/m1/s1.
What are the key properties of (1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene?
(1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene has a molecular weight of 240.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6S)-3-(methoxymethyl)-4-phenyltricyclo[4.2.1.02,5]non-3-ene is sourced from PubChem (CID 102176616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).