2-propan-2-ylidene-1-benzoxocine

C14H14O — CID 54076024

IUPAC2-propan-2-ylidene-1-benzoxocine
SMILESCC(C)=C1C=CC=Cc2ccccc2O1
InChIInChI=1S/C14H14O/c1-11(2)13-9-5-3-7-12-8-4-6-10-14(12)15-13/h3-10H,1-2H3
InChIKeyMJSPMRNFVKGGSJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.94
Rot. Bonds

About 2-propan-2-ylidene-1-benzoxocine

2-propan-2-ylidene-1-benzoxocine (PubChem CID 54076024) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-propan-2-ylidene-1-benzoxocine.

Molecular Properties

Compound Name2-propan-2-ylidene-1-benzoxocine
PubChem CID54076024
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name2-propan-2-ylidene-1-benzoxocine
SMILESCC(C)=C1C=CC=Cc2ccccc2O1
InChIInChI=1S/C14H14O/c1-11(2)13-9-5-3-7-12-8-4-6-10-14(12)15-13/h3-10H,1-2H3
InChIKeyMJSPMRNFVKGGSJ-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzoxepine;ethane
CID 142155637
1,2-benzoxazepin-2-ium
CID 173001154
methanethiol;[(3Z,5Z)-2-methylidene-1-benzoxocin-3-yl]boronic acid
CID 144598047
2-oxa-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,9,12,14,16-octaene
CID 175794563
(5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene
CID 173008582
(5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene
CID 87672269
2H-chromene;ethane
CID 68570874
ethyl 2-chromen-2-ylidene-2-cyanoacetate
CID 72730174
ethyl (2Z)-2-chromen-2-ylidene-2-cyanoacetate
CID 14344797
2H-chromene;fluoromethane
CID 88608923
(4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene
CID 173008593
2H-chromene;propane
CID 160650237

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylidene-1-benzoxocine?
The IUPAC name of 2-propan-2-ylidene-1-benzoxocine (CID 54076024) is 2-propan-2-ylidene-1-benzoxocine.
What is the SMILES notation for 2-propan-2-ylidene-1-benzoxocine?
The canonical SMILES for 2-propan-2-ylidene-1-benzoxocine is CC(C)=C1C=CC=Cc2ccccc2O1.
What is the InChIKey of 2-propan-2-ylidene-1-benzoxocine?
The InChIKey is MJSPMRNFVKGGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-11(2)13-9-5-3-7-12-8-4-6-10-14(12)15-13/h3-10H,1-2H3.
What are the key properties of 2-propan-2-ylidene-1-benzoxocine?
2-propan-2-ylidene-1-benzoxocine has a molecular weight of 198.26 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidene-1-benzoxocine is sourced from PubChem (CID 54076024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).