(10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol

C17H14O2 — CID 67795281

IUPAC(10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol
SMILESCOc1ccc2c(c1)/C=C\c1ccccc1C=C2O
InChIInChI=1S/C17H14O2/c1-19-15-8-9-16-14(10-15)7-6-12-4-2-3-5-13(12)11-17(16)18/h2-11,18H,1H3/b7-6-,12-6-,13-11?,14-7-,17-11?,17-16?
InChIKeyCKXXKIOKPGBBLK-QATVYHOTSA-N
MW250.30 g/mol
LogP4.24
Rot. Bonds1

About (10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol

(10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol (PubChem CID 67795281) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol.

Molecular Properties

Compound Name(10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol
PubChem CID67795281
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol
SMILESCOc1ccc2c(c1)/C=C\c1ccccc1C=C2O
InChIInChI=1S/C17H14O2/c1-19-15-8-9-16-14(10-15)7-6-12-4-2-3-5-13(12)11-17(16)18/h2-11,18H,1H3/b7-6-,12-6-,13-11?,14-7-,17-11?,17-16?
InChIKeyCKXXKIOKPGBBLK-QATVYHOTSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol?
The IUPAC name of (10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol (CID 67795281) is (10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol.
What is the SMILES notation for (10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol?
The canonical SMILES for (10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol is COc1ccc2c(c1)/C=C\c1ccccc1C=C2O.
What is the InChIKey of (10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol?
The InChIKey is CKXXKIOKPGBBLK-QATVYHOTSA-N. The full InChI is InChI=1S/C17H14O2/c1-19-15-8-9-16-14(10-15)7-6-12-4-2-3-5-13(12)11-17(16)18/h2-11,18H,1H3/b7-6-,12-6-,13-11?,14-7-,17-11?,17-16?.
What are the key properties of (10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol?
(10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol has a molecular weight of 250.30 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-14-methoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaen-2-ol is sourced from PubChem (CID 67795281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).