(2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol

C13H16O2 — CID 53310026

IUPAC(2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol
SMILESCOC1=CC=C2CC[C@H]3C[C@H](O)C(=C23)C1
InChIInChI=1S/C13H16O2/c1-15-10-5-4-8-2-3-9-6-12(14)11(7-10)13(8)9/h4-5,9,12,14H,2-3,6-7H2,1H3/t9-,12-/m0/s1
InChIKeyYGCODSOOLWFJAO-CABZTGNLSA-N
MW204.27 g/mol
LogP2.32
Rot. Bonds1

About (2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol

(2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol (PubChem CID 53310026) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol.

Molecular Properties

Compound Name(2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol
PubChem CID53310026
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol
SMILESCOC1=CC=C2CC[C@H]3C[C@H](O)C(=C23)C1
InChIInChI=1S/C13H16O2/c1-15-10-5-4-8-2-3-9-6-12(14)11(7-10)13(8)9/h4-5,9,12,14H,2-3,6-7H2,1H3/t9-,12-/m0/s1
InChIKeyYGCODSOOLWFJAO-CABZTGNLSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol with MolForge

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Related Compounds

Ethane;3-(4-methoxycyclohepta-1,3-dien-1-yl)cyclopentan-1-ol
CID 144373618
(2Z)-2-(5a,6-dimethyl-2,3,4,6,7,8-hexahydropentaleno[2,1-b]oxepin-5-ylidene)ethanol
CID 164086070
(2R,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol
CID 53310025
(2R,4S)-2-butoxy-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-triene
CID 53310167
(2R,4S)-10-methoxy-2-(3-methylbutoxy)tricyclo[5.4.1.04,12]dodeca-1(12),7,9-triene
CID 53310168
(2R,4S)-2,10-dimethoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-triene
CID 101953954
9-Methoxytricyclo[5.4.1.04,12]dodeca-1(11),7(12),8-trien-2-ol
CID 101953956
3-(4-Methoxycyclohepta-1,3-dien-1-yl)cyclopentan-1-ol
CID 144373619

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol?
The IUPAC name of (2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol (CID 53310026) is (2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol.
What is the SMILES notation for (2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol?
The canonical SMILES for (2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol is COC1=CC=C2CC[C@H]3C[C@H](O)C(=C23)C1.
What is the InChIKey of (2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol?
The InChIKey is YGCODSOOLWFJAO-CABZTGNLSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-10-5-4-8-2-3-9-6-12(14)11(7-10)13(8)9/h4-5,9,12,14H,2-3,6-7H2,1H3/t9-,12-/m0/s1.
What are the key properties of (2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol?
(2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol has a molecular weight of 204.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-ol is sourced from PubChem (CID 53310026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).