4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene

C18H16 — CID 177137085

IUPAC4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene
SMILESC=c1ccc2ccc(C)c3ccc(/C=C\C)c1c23
InChIInChI=1S/C18H16/c1-4-5-14-10-11-16-12(2)6-8-15-9-7-13(3)17(14)18(15)16/h4-11H,3H2,1-2H3/b5-4-
InChIKeyJZFOFYIZNLFUGT-PLNGDYQASA-N
MW232.33 g/mol
LogP4.46
Rot. Bonds1

About 4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene

4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene (PubChem CID 177137085) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene.

Molecular Properties

Compound Name4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene
PubChem CID177137085
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene
SMILESC=c1ccc2ccc(C)c3ccc(/C=C\C)c1c23
InChIInChI=1S/C18H16/c1-4-5-14-10-11-16-12(2)6-8-15-9-7-13(3)17(14)18(15)16/h4-11H,3H2,1-2H3/b5-4-
InChIKeyJZFOFYIZNLFUGT-PLNGDYQASA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;(9Z)-9-ethylidene-1,4-dimethylphenalene
CID 142353001
1-methyl-6-propan-2-ylpyrene
CID 144975111
6-methylpyren-1-ol
CID 59779494
1-bromo-2,8-dimethylpyrene
CID 175605672
1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene
CID 158430591
1,4,5,8-tetramethylphenanthrene
CID 14619660
(6-methylpyren-1-yl)methanol
CID 91603096
2-(7-ethenyl-6-methylidenephenalen-1-yl)pyridine
CID 143486384
9,12-dimethylbenzo[c]phenanthren-3-ol
CID 15488090
7-tert-butyl-1-methylpyrene;ethane;methanamine
CID 144939259
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
5,20-dimethyl-6-prop-1-enylheptacyclo[11.11.1.14,24.02,11.03,8.014,19.021,25]hexacosa-1,3,5,7,9,11,13(25),14,16,18,20,22,24(26)-tridecaene
CID 123288734

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene?
The IUPAC name of 4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene (CID 177137085) is 4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene.
What is the SMILES notation for 4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene?
The canonical SMILES for 4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene is C=c1ccc2ccc(C)c3ccc(/C=C\C)c1c23.
What is the InChIKey of 4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene?
The InChIKey is JZFOFYIZNLFUGT-PLNGDYQASA-N. The full InChI is InChI=1S/C18H16/c1-4-5-14-10-11-16-12(2)6-8-15-9-7-13(3)17(14)18(15)16/h4-11H,3H2,1-2H3/b5-4-.
What are the key properties of 4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene?
4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene has a molecular weight of 232.33 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-methylidene-1-[(Z)-prop-1-enyl]phenalene is sourced from PubChem (CID 177137085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).