(13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol

C17H16O2 — CID 23051153

IUPAC(13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol
SMILESCOC1=CC=C2C(=CC=c3ccccc3=C2CO)C1
InChIInChI=1S/C17H16O2/c1-19-14-8-9-16-13(10-14)7-6-12-4-2-3-5-15(12)17(16)11-18/h2-9,18H,10-11H2,1H3
InChIKeyHMVLYALUJXGFSF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.41
Rot. Bonds2

About (13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol

(13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol (PubChem CID 23051153) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol.

Molecular Properties

Compound Name(13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol
PubChem CID23051153
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol
SMILESCOC1=CC=C2C(=CC=c3ccccc3=C2CO)C1
InChIInChI=1S/C17H16O2/c1-19-14-8-9-16-13(10-14)7-6-12-4-2-3-5-15(12)17(16)11-18/h2-9,18H,10-11H2,1H3
InChIKeyHMVLYALUJXGFSF-UHFFFAOYSA-N
XLogP1.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol?
The IUPAC name of (13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol (CID 23051153) is (13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol.
What is the SMILES notation for (13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol?
The canonical SMILES for (13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol is COC1=CC=C2C(=CC=c3ccccc3=C2CO)C1.
What is the InChIKey of (13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol?
The InChIKey is HMVLYALUJXGFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-19-14-8-9-16-13(10-14)7-6-12-4-2-3-5-15(12)17(16)11-18/h2-9,18H,10-11H2,1H3.
What are the key properties of (13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol?
(13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol has a molecular weight of 252.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaenyl)methanol is sourced from PubChem (CID 23051153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).