(4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine

C14H18O2 — CID 143056811

IUPAC(4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine
SMILESCOc1ccc2c(c1)C/C=C\C(C)(C)CO2
InChIInChI=1S/C14H18O2/c1-14(2)8-4-5-11-9-12(15-3)6-7-13(11)16-10-14/h4,6-9H,5,10H2,1-3H3/b8-4-
InChIKeyIHSIIXMNTWNPAP-YWEYNIOJSA-N
MW218.30 g/mol
LogP3.21
Rot. Bonds1

About (4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine

(4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine (PubChem CID 143056811) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine.

Molecular Properties

Compound Name(4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine
PubChem CID143056811
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine
SMILESCOc1ccc2c(c1)C/C=C\C(C)(C)CO2
InChIInChI=1S/C14H18O2/c1-14(2)8-4-5-11-9-12(15-3)6-7-13(11)16-10-14/h4,6-9H,5,10H2,1-3H3/b8-4-
InChIKeyIHSIIXMNTWNPAP-YWEYNIOJSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine 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

5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]
CID 14070048
6-methoxy-1H-indene
CID 22155588
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82605158
6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
CID 141173693
(3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde
CID 92669931
7,7',19,19'-tetramethoxy-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,5(10),6,8,17,19-heptaene]
CID 134462458
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
6-methoxy-3,3-dimethyl-1,4-dihydroisochromene
CID 57120013
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
5-methoxy-2-methyl-1,3-dihydroinden-2-amine
CID 84717968
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033

Frequently Asked Questions

What is the IUPAC name of (4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine?
The IUPAC name of (4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine (CID 143056811) is (4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine.
What is the SMILES notation for (4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine?
The canonical SMILES for (4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine is COc1ccc2c(c1)C/C=C\C(C)(C)CO2.
What is the InChIKey of (4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine?
The InChIKey is IHSIIXMNTWNPAP-YWEYNIOJSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2)8-4-5-11-9-12(15-3)6-7-13(11)16-10-14/h4,6-9H,5,10H2,1-3H3/b8-4-.
What are the key properties of (4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine?
(4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine has a molecular weight of 218.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-8-methoxy-3,3-dimethyl-2,6-dihydro-1-benzoxocine is sourced from PubChem (CID 143056811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).