(10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one

C19H18O3 — CID 12751128

IUPAC(10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one
SMILESO=C1/C=C/CCc2ccc(O)c(c2)-c2cc(ccc2O)CC1
InChIInChI=1S/C19H18O3/c20-15-4-2-1-3-13-6-9-18(21)16(11-13)17-12-14(5-8-15)7-10-19(17)22/h2,4,6-7,9-12,21-22H,1,3,5,8H2/b4-2+
InChIKeyVWORGKSAVUQKSQ-DUXPYHPUSA-N
MW294.35 g/mol
LogP3.77
Rot. Bonds

About (10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one

(10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one (PubChem CID 12751128) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one.

Molecular Properties

Compound Name(10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one
PubChem CID12751128
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one
SMILESO=C1/C=C/CCc2ccc(O)c(c2)-c2cc(ccc2O)CC1
InChIInChI=1S/C19H18O3/c20-15-4-2-1-3-13-6-9-18(21)16(11-13)17-12-14(5-8-15)7-10-19(17)22/h2,4,6-7,9-12,21-22H,1,3,5,8H2/b4-2+
InChIKeyVWORGKSAVUQKSQ-DUXPYHPUSA-N
XLogP3.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one?
The IUPAC name of (10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one (CID 12751128) is (10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one.
What is the SMILES notation for (10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one?
The canonical SMILES for (10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one is O=C1/C=C/CCc2ccc(O)c(c2)-c2cc(ccc2O)CC1.
What is the InChIKey of (10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one?
The InChIKey is VWORGKSAVUQKSQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C19H18O3/c20-15-4-2-1-3-13-6-9-18(21)16(11-13)17-12-14(5-8-15)7-10-19(17)22/h2,4,6-7,9-12,21-22H,1,3,5,8H2/b4-2+.
What are the key properties of (10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one?
(10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one has a molecular weight of 294.35 g/mol, XLogP of 3.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-3,17-dihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one is sourced from PubChem (CID 12751128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).